SCHEMBL4548619

SCHEMBL4548619

CC(C)(C)c1ccc2cc(C(C)(C)C)ncc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.37
TSHR P16473 1/20 0.37
ALDH1A1 P00352 3/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALOX5AP P20292 1/20 0.34
RAB9A P51151 5/20 0.33
POLB P06746 2/20 0.33
KCNH2 Q12809 2/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TDO2 P48775 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16937572 0.92 NR1I2 (0.37) NR1I2TSHRALDH1A1HPGDALOX15
SCHEMBL27097163 0.82 CYP1A2 (0.52) TSHRALDH1A1HPGDHSD17B10TDP1
SCHEMBL21920584 0.81 CYP1A2 (0.53) NR1I2TSHRALDH1A1HPGDALOX15
SCHEMBL19089948 0.80
SCHEMBL10220699 0.79 CYP2A6 (0.42) ALDH1A1RAB9AMEN1MAPTKMT2A
SCHEMBL10220838 0.79 CYP2A6 (0.42) ALDH1A1HPGDTDP1RAB9AKDM4E
SCHEMBL25449345 0.79 PDPK1 (0.52) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL21451242 0.79 CCR9 (0.43) NR1I2TSHRALDH1A1HPGDALOX15
SCHEMBL348347 0.78 ALDH1A1 (0.52) NR1I2TSHRALDH1A1HPGDALOX15
SCHEMBL30010382 0.78 ALDH1A1 (0.52) NR1I2TSHRALDH1A1HPGDALOX15

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11746093-B2 Nitrogen-containing compound, electronic element, and electronic device SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-09-05 US disclosed
US-20230192627-A1 NITROGEN-CONTAINING COMPOUND, ELECTRONIC ELEMENT, AND ELECTRONIC DEVICE SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-06-22 US disclosed
US-11446389-B2 Maytansinoid derivatives, conjugates thereof, and methods of use REGENERON PHARMACEUTICALS, INC. (US) 2022-09-20 US disclosed
US-20210393623-A1 Novel Heterocyclic Derivatives Useful as SHP2 Inhibitors JACOBIO PHARMACEUTICALS CO LTD (CN) 2021-12-23 US disclosed
US-11034684-B2 Isoxazole analogs as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2021-06-15 US disclosed
US-10689391-B2 Isoxazole analogs as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2020-06-23 US disclosed
US-20200121806-A1 MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE REGENERON PHARMACEUTICALS, INC. 2020-04-23 US disclosed
US-10450306-B2 Isoxazole analogs as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2019-10-22 US disclosed
US-20190194216-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2019-06-27 US disclosed
US-9950076-B2 Maytansinoid derivatives, conjugates thereof, and methods of use REGENERON PHARMACEUTICALS, INC. (US) 2018-04-24 US disclosed
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2018-04-12 US disclosed
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2018-04-12 US disclosed
US-20170209591-A1 MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE REGENERON PHARMACEUTICALS, INC. 2017-07-27 US disclosed
US-20170209591-A1 MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE REGENERON PHARMACEUTICALS, INC. 2017-07-27 US disclosed
US-20160375147-A1 MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE REGENERON PHARMACEUTICALS, INC. 2016-12-29 US disclosed
US-8178557-B2 Compounds and methods of use AMGEN INC. (US) 2012-05-15 US disclosed
US-20090176774-A1 Compounds and methods of use AMGEN INC. (US) 2009-07-09 US disclosed
US-7435823-B2 Compounds and methods of use AMGEN INC. (US) 2008-10-14 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10450306-B2 Isoxazole analogs as FXR agonists and methods of use thereof GPBAR1, SLC10A1, NR1H4 NR1I2 18/4885TSHR 408/4885ALDH1A1 1577/4885
US-20160375147-A1 MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE SLC10A1, HNMT, OGFR NR1I2 1676/4885TSHR 1150/4885ALDH1A1 317/4885
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF GPBAR1, SLC10A1, NR1H4 NR1I2 18/4885TSHR 408/4885ALDH1A1 1577/4885
US-11746093-B2 Nitrogen-containing compound, electronic element, and electronic device SLC43A1, SLC7A5, L1CAM NR1I2 3131/4885TSHR 4832/4885ALDH1A1 3782/4885
US-20190194216-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF SLC10A1, NR1H4, GPBAR1 NR1I2 22/4885TSHR 326/4885ALDH1A1 1706/4885
US-20170209591-A1 MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE HNMT, SLC10A1, SLC10A2 NR1I2 1634/4885TSHR 1129/4885ALDH1A1 331/4885
US-20090176774-A1 Compounds and methods of use HGF, HGFAC, MET NR1I2 1741/4885TSHR 3003/4885ALDH1A1 81/4885
US-20210393623-A1 Novel Heterocyclic Derivatives Useful as SHP2 Inhibitors PTPN1, PTPN5, PTPN2 NR1I2 1252/4885TSHR 2764/4885ALDH1A1 2966/4885
US-11034684-B2 Isoxazole analogs as FXR agonists and methods of use thereof GPBAR1, SLC10A1, NR1H4 NR1I2 18/4885TSHR 408/4885ALDH1A1 1577/4885
US-10689391-B2 Isoxazole analogs as FXR agonists and methods of use thereof SLC10A1, NR1H4, GPBAR1 NR1I2 22/4885TSHR 326/4885ALDH1A1 1706/4885
US-20200121806-A1 MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE HNMT, SLC10A1, SLC10A2 NR1I2 1634/4885TSHR 1129/4885ALDH1A1 331/4885
US-11446389-B2 Maytansinoid derivatives, conjugates thereof, and methods of use HNMT, SLC10A1, SLC10A2 NR1I2 1634/4885TSHR 1129/4885ALDH1A1 331/4885
US-20230192627-A1 NITROGEN-CONTAINING COMPOUND, ELECTRONIC ELEMENT, AND ELECTRONIC DEVICE SLC43A1, SLC7A5, L1CAM NR1I2 3131/4885TSHR 4832/4885ALDH1A1 3782/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.