SCHEMBL6682973

SCHEMBL6682973

CCC(C)c1ccccc1C(C)C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.64
GABRA1 P14867 3/20 0.52
GABRB2 P47870 2/20 0.52
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
FAAH O00519 2/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
HPGD P15428 1/20 0.42
GABRB1 P18505 1/20 0.42
PTGS1 P23219 1/20 0.42
SLC6A2 P23975 1/20 0.42
HTR2C P28335 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
HTR2B P41595 1/20 0.42
GABRA2 P47869 1/20 0.42

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
SCHEMBL994607 0.92 TSHR (0.73) TSHRGABRA1GABRB2GABRG2GABRB3
Hydrogen Peroxide SCHEMBL3675725 0.87 TSHR (0.74) TSHRGABRA1GABRB2LMNAL3MBTL1
SCHEMBL9621456 0.85 TSHR (0.64) TSHRGABRA1GABRB2LMNAL3MBTL1
SCHEMBL27826854 0.83 TSHR (0.61) TSHRGABRA1GABRB2LMNAL3MBTL1
SCHEMBL10246803 0.81 TSHR (0.59) TSHRGABRA1GABRB2L3MBTL1KDM4E
SCHEMBL14341530 0.81 TSHR (0.65) TSHRGABRA1GABRB2GABRG2GABRB3
SCHEMBL66162 0.81 GABRA1 (0.63) TSHRGABRA1GABRB2GABRG2GABRB3
SCHEMBL29429205 0.81 GABRA1 (0.63) TSHRGABRA1GABRB2GABRG2GABRB3
SCHEMBL944816 0.80 TSHR (0.64) TSHRGABRA1GABRB2LMNAL3MBTL1
SCHEMBL8731749 0.80 TSHR (0.64) TSHRGABRA1GABRB2LMNACYP1A2

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
EP-2867191-B1 PROCESS FOR PRODUCING CUMENE BADGER LICENSING LLC (US) 2019-09-11 EP claimed
CN-109438157-B Process for producing cumene 巴杰许可有限责任公司 2024-05-14 CN disclosed
EP-2867191-B1 PROCESS FOR PRODUCING CUMENE BADGER LICENSING LLC (US) 2019-09-11 EP disclosed
CN-109438157-A The method for producing cumene 巴杰许可有限责任公司 2019-03-08 CN disclosed
US-9850187-B2 Process for producing cumene BADGER LICENSING LLC (US) 2017-12-26 US disclosed
US-20170239365-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF MEDIMMUNE LIMITED (GB) 2017-08-24 US disclosed
US-20150183695-A1 PROCESS FOR PRODUCING CUMENE BADGER LICENSING LLC (US) 2015-07-02 US disclosed
EP-2867191-A1 PROCESS FOR PRODUCING CUMENE Badger Licensing, LLC (US) 2015-05-06 EP disclosed
CN-104411662-A Process for producing cumene BADGER LICENSING LLC 2015-03-11 CN disclosed
WO-2014003732-A1 PROCESS FOR PRODUCING CUMENE BADGER LICENSING LLC (US) 2014-01-03 WO disclosed
EP-0985649-B1 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES (JP) 2004-11-24 EP disclosed
US-6462248-B1 THROUGH CONVERSION, ISOMERIZATION AND/OR ADSORPTIVE SEPARATION OF AROMATIC COMPOUNDS TORAY INDUSTRIES, INC. (JP) 2002-10-08 US disclosed
EP-0985649-A2 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES, INC. (JP) 2000-03-15 EP disclosed
US-4929747-A POLYMERIZATION CATALYSTS NIPPON OIL & FATS COMPANY, LTD. (JP) 1990-05-29 US disclosed
US-4059637-A COUNTERCURRENT MULTISTAGE SOLVENT EXTRACTION SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1977-11-22 US disclosed
US-4003846-A ACROLEIN POLYMER, POLYALKYLENIMINE CIBA-GEIGY CORPORATION (US) 1977-01-18 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 (1 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-20170239365-A1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF CD79B, BOD1L1, GABRA1 TSHR 1750/4885GABRA1 3/4885GABRB2 21/4885

“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.