SCHEMBL853729

SCHEMBL853729

COC(=O)Cc1c[nH]c2ccc(O)cc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 5/20 0.68
ALDH1A1 P00352 4/20 0.68
LMNA P02545 3/20 0.68
CYP2C9 P11712 3/20 0.68
TSHR P16473 3/20 0.68
NFKB1 P19838 3/20 0.68
HPGD P15428 2/20 0.68
PMP22 Q01453 2/20 0.68
GLA P06280 1/20 0.68
NR4A1 P22736 1/20 0.65
KDM4E B2RXH2 5/20 0.59
CYP2D6 P10635 4/20 0.59
SPR P35270 3/20 0.59
CYP1A2 P05177 3/20 0.59
CYP3A4 P08684 3/20 0.59
MAPT P10636 3/20 0.59
BLM P54132 2/20 0.59
IDO1 P14902 1/20 0.59
NOTUM Q6P988 1/20 0.59
TDP1 Q9NUW8 1/20 0.58

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
SCHEMBL4473657 0.88 HTR2C (0.54) NPSR1ALDH1A1LMNACYP2C9TSHR
SCHEMBL852680 0.86 NPSR1 (0.64) NPSR1ALDH1A1LMNACYP2C9TSHR
SCHEMBL5177499 0.86 PKM (0.68) NPSR1ALDH1A1LMNACYP2C9TSHR
SCHEMBL28006440 0.86 NPSR1 (0.65) NPSR1ALDH1A1LMNACYP2C9TSHR
SCHEMBL2083266 0.85 ALDH1A1 (0.51) NPSR1ALDH1A1LMNACYP2C9TSHR
SCHEMBL21255987 0.85 MTNR1A (0.59) NPSR1ALDH1A1LMNACYP2C9TSHR
SCHEMBL2686551 0.84 KDM4E (0.77) ALDH1A1TSHRNFKB1HPGDPMP22
SCHEMBL20769666 0.84 MTNR1A (0.60) TSHRKDM4EIDO1KMT2AMEN1
SCHEMBL5817109 0.84 KDM4E (0.53) NPSR1ALDH1A1LMNACYP2C9TSHR
SCHEMBL29444458 0.84 MTNR1A (0.60) NPSR1ALDH1A1LMNACYP2C9TSHR

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 66 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12150447-B2 Plant growth regulator UNIVERSITY OF WASHINGTON (US) 2024-11-26 US disclosed
US-12139459-B2 Enhancer of fertilization function of sperm TOHOKU UNIVERSITY (JP) 2024-11-12 US disclosed
US-20240216524-A1 Chemoselective Rapid Azo-Coupling Reaction for Bioconjugation TRUSTEES BOSTON COLLEGE (US) 2024-07-04 US disclosed
US-11890351-B2 Chemoselective rapid azo-coupling reaction for bioconjugation TRUSTEES OF BOSTON COLLEGE (US) 2024-02-06 US disclosed
WO-2023028350-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS BOYCE THOMPSON INSTITUTE FOR PLANT RESEARCH, INC. (US) 2023-03-02 WO disclosed
US-20220106270-A1 ENHANCER OF FERTILIZATION FUNCTION OF SPERM KAKE EDUCATIONAL INSTITUTION (JP) 2022-04-07 US disclosed
US-11147796-B2 Agent for preventing or ameliorating hearing impairment TOHOKU UNIVERSITY (JP) 2021-10-19 US disclosed
US-11147796-B2 Agent for preventing or ameliorating hearing impairment TOHOKU UNIVERSITY (JP) 2021-10-19 US disclosed
US-20210235697-A1 PLANT GROWTH REGULATOR UNIVERSITY OF WASHINGTON (US) 2021-08-05 US disclosed
US-20210235697-A1 PLANT GROWTH REGULATOR UNIVERSITY OF WASHINGTON (US) 2021-08-05 US disclosed
EP-1268422-A1 INDOLES FOR TREATING DISEASES THAT CAN BE TREATED USING THYROID HORMONES Bayer Aktiengesellschaft (DE) 2003-01-02 EP disclosed
US-20020169200-A1 Substituted indoles and their use as integrin antagonists 3-DIMENSIONAL PHARMACEUTICALS, INC. 2002-11-14 US disclosed
WO-2002060438-A1 SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2002-08-08 WO disclosed
WO-2001070687-A1 INDOLES FOR TREATING DISEASES THAT CAN BE TREATED USING THYROID HORMONES BAYER AKTIENGESELLSCHAFT (DE) 2001-09-27 WO disclosed
EP-0548250-B1 SUBSTITUTED BICYCLIC ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B4 ANTAGONIST ACTIVITY RHONE POULENC RORER INT (US) 1996-03-27 EP disclosed
US-5468898-A Substituted naphthylene compounds exhibiting selective leukotriene B4 antagonist activity RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1995-11-21 US disclosed
EP-0548250-A4 SUBSTITUTED BICYCLIC ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B 4? ANTAGONIST ACTIVITY 1993-10-27 EP disclosed
EP-0548250-A1 SUBSTITUTED BICYCLIC ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B 4? ANTAGONIST ACTIVITY. RHONE POULENC RORER INT (US) 1993-06-30 EP disclosed
WO-1992004321-A1 SUBSTITUTED BICYCLIC ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B4 ANTAGONIST ACTIVITY RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1992-03-19 WO disclosed
EP-0252404-A2 5-Hydroxy-3-indoleacetic acid fluorescence polarization immunoassay ABBOTT LABORATORIES (US) 1988-01-13 EP 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 (8 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-12139459-B2 Enhancer of fertilization function of sperm CATSPER1, NASP, ZP1 NPSR1 906/4885ALDH1A1 2062/4885LMNA 3940/4885
US-11147796-B2 Agent for preventing or ameliorating hearing impairment SLC26A4, OTC, SLC25A20 NPSR1 2716/4885ALDH1A1 477/4885LMNA 2020/4885
US-20240216524-A1 Chemoselective Rapid Azo-Coupling Reaction for Bioconjugation PAICS, DNPEP, ABCG2 NPSR1 212/4885ALDH1A1 1482/4885LMNA 4623/4885
US-20020169200-A1 Substituted indoles and their use as integrin antagonists ITGAV, ITGAL, ITGA5 NPSR1 286/4885ALDH1A1 1662/4885LMNA 2941/4885
US-20220106270-A1 ENHANCER OF FERTILIZATION FUNCTION OF SPERM CATSPER1, NASP, ZP1 NPSR1 906/4885ALDH1A1 2062/4885LMNA 3940/4885
US-20210235697-A1 PLANT GROWTH REGULATOR ING2, GHRHR, MYB NPSR1 1066/4885ALDH1A1 3460/4885LMNA 4744/4885
US-12150447-B2 Plant growth regulator ING2, GHRHR, MYB NPSR1 1066/4885ALDH1A1 3460/4885LMNA 4744/4885
US-11890351-B2 Chemoselective rapid azo-coupling reaction for bioconjugation PAICS, DNPEP, ABCG2 NPSR1 212/4885ALDH1A1 1482/4885LMNA 4623/4885

“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.