SCHEMBL2497617

SCHEMBL2497617

CC(C)(C)c1ccccc1-c1ccccc1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.67
TDP1 Q9NUW8 2/20 0.67
TSHR P16473 1/20 0.67
CA2 P00918 2/20 0.50
HSD17B10 Q99714 3/20 0.44
HPGD P15428 2/20 0.44
BCL2L1 Q07817 1/20 0.44
GABRA1 P14867 1/20 0.43
GABRB2 P47870 1/20 0.43
ALOX15 P16050 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPT P10636 2/20 0.42
CYP1A2 P05177 1/20 0.42
ATP2A2 P16615 1/20 0.42
ATP2A3 Q93084 1/20 0.42
LMNA P02545 2/20 0.40
NR1I2 O75469 1/20 0.40
CYP2C9 P11712 1/20 0.40
MIF P14174 1/20 0.40

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
SCHEMBL12503543 0.94 ALDH1A1 (0.59) ALDH1A1TDP1TSHRCA2HSD17B10
SCHEMBL1194484 0.85 ALDH1A1 (0.55) ALDH1A1TDP1TSHRCA2HSD17B10
SCHEMBL1503511 0.85 CA2 (0.61) ALDH1A1TDP1TSHRCA2HSD17B10
SCHEMBL30341592 0.84 ALDH1A1 (0.58) ALDH1A1TDP1TSHRCA2HSD17B10
SCHEMBL11813237 0.84 ALDH1A1 (0.52) ALDH1A1TDP1TSHRCA2HSD17B10
SCHEMBL9235786 0.84 ALDH1A1 (0.57) ALDH1A1TDP1TSHRCA2HSD17B10
SCHEMBL28607703 0.84 ALDH1A1 (0.57) ALDH1A1TDP1TSHRCA2HSD17B10
SCHEMBL545684 0.83 ALDH1A1 (0.52) ALDH1A1TDP1TSHRCA2GABRA1
Phosphine SCHEMBL2238711 0.83 ALDH1A1 (0.52) ALDH1A1TDP1TSHRCA2GABRA1
SCHEMBL5665795 0.83 ALDH1A1 (0.61) ALDH1A1TDP1TSHRCA2HSD17B10

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113461504-B Method for preparing macrocyclic ketone from epoxide 中国天辰工程有限公司 2023-04-21 CN disclosed
EP-4103629-A1 POLYETHYLENE COMPOSITIONS OBTAINED USING TRANSITION METAL BIS(PHENOLATE) CATALYST COMPLEXES AND HOMOGENEOUS PROCESS FOR PRODUCTION THEREOF ExxonMobil Chemical Patents Inc. (US) 2022-12-21 EP disclosed
CN-113461504-A Method for preparing macrocyclic alkanone from epoxide 中国天辰工程有限公司 2021-10-01 CN disclosed
WO-2021162748-A1 POLYETHYLENE COMPOSITIONS OBTAINED USING TRANSITION METAL BIS(PHENOLATE) CATALYST COMPLEXES AND HOMOGENEOUS PROCESS FOR PRODUCTION THEREOF EXXONMOBIL CHEMICAL PATENTS INC. (US) 2021-08-19 WO disclosed
EP-2789640-B1 POLYCARBONATE RESINS, POLYCARBONATE RESIN COMPOSITIONS, OPTICAL FILM, AND POLYCARBONATE RESIN MOLDED ARTICLES MITSUBISHI CHEM CORP (JP) 2019-01-02 EP disclosed
US-10150108-B2 Catalytic composition and process for oligomerizing ethylene into 1-hexene IFP Energies Nouvelles (FR) 2018-12-11 US disclosed
CN-105246940-B Optical semiconductor sealing solidification compound 株式会社大赛璐 2018-09-04 CN disclosed
US-9685597-B2 Curable composition for sealing optical semiconductor DAICEL CORPORATION (JP) 2017-06-20 US disclosed
US-20160126431-A1 CURABLE COMPOSITION FOR SEALING OPTICAL SEMICONDUCTOR DAICEL CORPORATION (JP) 2016-05-05 US disclosed
EP-3006481-A1 CURABLE COMPOSITION FOR SEALING OPTICAL SEMICONDUCTOR Daicel Corporation (JP) 2016-04-13 EP disclosed
US-20150273456-A1 NOVEL CATALYTIC COMPOSITION AND PROCESS FOR OLIGOMERIZING ETHYLENE INTO 1-HEXENE IFP Energies Nouvelles (FR) 2015-10-01 US disclosed
EP-2789640-A1 Polycarbonate resins, polycarbonate resin compositions, optical film, and polycarbonate resin molded articles MITSUBISHI CHEMICAL CORPORATION (JP) 2014-10-15 EP disclosed
EP-2371877-A1 POLYCARBONATE RESIN, POLYCARBONATE RESIN COMPOSITION, OPTICAL FILM, AND POLYCARBONATE RESIN MOLDED ARTICLE Mitsubishi Chemical Corporation (JP) 2011-10-05 EP disclosed
EP-0368459-B1 Coating compositions ICI PLC (GB) 1995-12-27 EP disclosed
US-5057556-A COATING COMPOSITIONS COMPRISING NON-GELLED AMINE-EPOXIDE REACTION PRODUCTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-10-15 US disclosed
EP-0368459-A1 Coating compositions IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-05-16 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 (2 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-10150108-B2 Catalytic composition and process for oligomerizing ethylene into 1-hexene XRN2, XDH, CBR1 ALDH1A1 4401/4885TDP1 2011/4885TSHR 1016/4885
US-20150273456-A1 NOVEL CATALYTIC COMPOSITION AND PROCESS FOR OLIGOMERIZING ETHYLENE INTO 1-HEXENE XRN2, XDH, SOD1 ALDH1A1 4200/4885TDP1 2072/4885TSHR 1864/4885

“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.