SCHEMBL8910496

SCHEMBL8910496

c1cc(CC2CCCCC2)ccn1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 11/20 0.55
TSHR P16473 1/20 0.50
RECQL P46063 1/20 0.50
TRPA1 O75762 1/20 0.49
CYP11B2 P19099 1/20 0.46
HTR3A P46098 1/20 0.44
HRH4 Q9H3N8 1/20 0.44
EPHX1 P07099 1/20 0.44
MAPT P10636 1/20 0.44
AAK1 Q2M2I8 2/20 0.43
LTA4H P09960 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
SCHEMBL8293176 0.98 CYP19A1 (0.57) CYP19A1TSHRRECQLTRPA1CYP11B2
SCHEMBL4864390 0.93 CYP19A1 (0.57) CYP19A1TSHRRECQLTRPA1CYP11B2
SCHEMBL1000330 0.89 CYP19A1 (0.61) CYP19A1TRPA1CYP11B2
SCHEMBL17493873 0.86 AAK1 (0.54) CYP19A1TSHRRECQLTRPA1CYP11B2
SCHEMBL14174294 0.79 CYP19A1 (0.52) CYP19A1TRPA1CYP11B2
SCHEMBL16612734 0.79 CYP19A1 (0.52) CYP19A1TRPA1CYP11B2
SCHEMBL2109582 0.79 GBA1 (0.66) CYP19A1CYP11B2HRH4
Hydrochloric Acid SCHEMBL1550607 0.78 GBA1 (0.63) CYP19A1CYP11B2HRH4
SCHEMBL28257255 0.78 LOXL2 (0.45) CYP19A1TSHRRECQLTRPA1CYP11B2
SCHEMBL16612252 0.78 CYP19A1 (0.56) CYP19A1CYP11B2

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-10125226-B2 Scale-up process of bifunctionalized triblock copolymers with secondary and tertiary amines, with application in dewatering and desalting of heavy crude oils INSTITUTO MEXICANO DEL PETROLEO (MX) 2018-11-13 US claimed
US-20140364566-A1 SCALE-UP PROCESS OF BIFUNCTIONALIZED TRIBLOCK COPOLYMERS WITH SECONDARY AND TERTIARY AMINES, WITH APPLICATION IN DEWATERING AND DESALTING OF HEAVY CRUDE OILS INSTITUTO MEXICANO DEL PETROLEO (MX) 2014-12-11 US claimed
US-4177349-A BY-PRODUCT INHIBITION REILLY TAR & CHEMICAL CORPORATION (US) 1979-12-04 US claimed
EP-4236659-A1 LIGHT-EMITTING DEVICE, ELECTRONIC APPARATUS INCLUDING THE LIGHTEMITTING DEVICE, AND MIXTURE Samsung Electronics Co., Ltd. (KR) 2023-08-30 EP disclosed
CN-106458836-B The method for preparing diaryl carbonate 科思创德国股份有限公司 2019-07-19 CN disclosed
CN-106458835-B Process for preparing diaryl carbonates 科思创德国股份有限公司 2019-07-12 CN disclosed
US-10167388-B2 Block copolymers, synthesis and application as dehydrating and desalting of heavy crudes INSTITUTO MEXICANO DEL PETROLEO (MX) 2019-01-01 US disclosed
CN-107431247-A Non-aqueous electrolyte and non-aqueous secondary battery 旭化成株式会社 2017-12-01 CN disclosed
US-20170327686-A1 BLOCK COPOLYMERS, SYNTHESIS AND APPLICATION AS DEHYDRATING AND DESALTING OF HEAVY CRUDES MEXICANO INST PETROL (MX) 2017-11-16 US disclosed
US-9752084-B2 Block copolymers, synthesis and application as dehydrating and desalting of heavy crudes INSTITUTO MEXICANO DEL PETROLEO (MX) 2017-09-05 US disclosed
CN-106458836-A Method for producing diaryl carbonates 科思创德国股份有限公司 2017-02-22 CN disclosed
CN-106458835-A Process for preparing diaryl carbonates 科思创德国股份有限公司 2017-02-22 CN disclosed
US-20140364566-A1 SCALE-UP PROCESS OF BIFUNCTIONALIZED TRIBLOCK COPOLYMERS WITH SECONDARY AND TERTIARY AMINES, WITH APPLICATION IN DEWATERING AND DESALTING OF HEAVY CRUDE OILS INSTITUTO MEXICANO DEL PETROLEO (MX) 2014-12-11 US disclosed
US-20140238900-A1 BLOCK COPOLYMERS, SYNTHESIS AND APPLICATION AS DEHYDRATING AND DESALTING OF HEAVY CRUDES INSTITUTO MEXICANO DEL PETROLEO (MX) 2014-08-28 US disclosed
US-5622953-A DRUG RESISTANT TO ANTICANCER CHEMOTHERAPEUTIC DRUG BASF AKTIENGESELLSCHAFT (DE) 1997-04-22 US disclosed
WO-1994022842-A1 1-AMINO-3-PHENOXY PROPANE DERIVATIVES AS MODULATORS OF MULTI-DRUG RESISTANCE BASF AKTIENGESELLSCHAFT (DE) 1994-10-13 WO disclosed
US-4267335-A Substituted 2,2'-bipyridyl compounds and process for preparing same REILLY TAR & CHEMICAL CORPORATION (US) 1981-05-12 US disclosed
US-4177349-A BY-PRODUCT INHIBITION REILLY TAR & CHEMICAL CORPORATION (US) 1979-12-04 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 (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-10167388-B2 Block copolymers, synthesis and application as dehydrating and desalting of heavy crudes DEGS1, AQP1, AQP3 CYP19A1 1407/4885TSHR 1694/4885RECQL 2160/4885
US-20170327686-A1 BLOCK COPOLYMERS, SYNTHESIS AND APPLICATION AS DEHYDRATING AND DESALTING OF HEAVY CRUDES DEGS1, AQP1, AQP3 CYP19A1 1407/4885TSHR 1694/4885RECQL 2160/4885

“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.