SCHEMBL8177

SCHEMBL8177

c1ccc([C](c2ccccc2)c2ccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 4/20 0.40
CES2 O00748 4/20 0.40
ALDH1A1 P00352 3/20 0.38
ESR1 P03372 2/20 0.38
ESR2 Q92731 2/20 0.38
CYP3A4 P08684 1/20 0.38
KCNK9 Q9NPC2 1/20 0.38
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TSHR P16473 3/20 0.36
DAO P14920 1/20 0.36
NAPRT Q6XQN6 1/20 0.36
KCNN4 O15554 1/20 0.36
TNF P01375 1/20 0.36
KLF5 Q13887 1/20 0.36
NOD1 Q9Y239 1/20 0.36
HDAC3 O15379 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36

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
SCHEMBL8598488 0.91 ESR1 (0.52) CES2ALDH1A1ESR1ESR2CYP3A4
SCHEMBL2761265 0.84 CES2 (0.55) CES1CES2ALDH1A1CYP3A4KCNK9
SCHEMBL14856629 0.84 CES2 (0.55) CES1CES2ALDH1A1CYP3A4KCNK9
SCHEMBL719395 0.84 CES2 (0.55) CES1CES2ALDH1A1CYP3A4KCNK9
SCHEMBL8823207 0.84 CES2 (0.55) CES1CES2ALDH1A1CYP3A4KCNK9
SCHEMBL6682499 0.84 CES2 (0.55) CES1CES2ALDH1A1CYP3A4KCNK9
SCHEMBL8216935 0.83 L3MBTL1 (0.53) ALDH1A1KCNK9MAPTTDP1L3MBTL1
SCHEMBL10762267 0.82 CES2 (0.52) CES1CES2ALDH1A1CYP3A4KCNK9
SCHEMBL9846771 0.81 KCNN4 (0.50) ALDH1A1ESR1ESR2CYP3A4TSHR
SCHEMBL10597514 0.80 CYP3A4 (0.43) CES1CES2ALDH1A1CYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230293713-A1 ANTI-TM4SF1 ANTIBODY DRUG CONJUGATES AND METHODS OF USING SAME ANGIEX, INC. 2023-09-21 US claimed
EP-3560937-B1 METHODS OF PREPARING 18F-LABELED PSMA-TARGETED PET IMAGING AGENTS AND DIAGNOSTIC METHODS THEREWITH CANCER TARGETED TECH LLC (US) 2022-12-28 EP claimed
WO-2021222783-A1 ANTI-TM4SF1 ANTIBODY DRUG CONJUGATES AND METHODS OF USING SAME ANGIEX, INC. (US) 2021-11-04 WO claimed
EP-3036227-B1 PROCESS FOR PREPARING A COMPOUND GENENTECH INC (US) 2020-01-08 EP claimed
EP-2970345-B1 18F-LABELED PSMA-TARGETED PET IMAGING AGENTS CANCER TARGETED TECH LLC (US) 2019-06-19 EP claimed
CN-106083807-B 4- amino -5- biphenyl -4- base -2- methylol -2- methvl-pentanoic acid compounds and preparation method thereof 施万生物制药研发IP有限责任公司 2018-09-11 CN claimed
WO-2018150386-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF BORONIC ACID ESTERS FRESENIUS KABI ONCOLOGY LTD. (IN) 2018-08-23 WO claimed
CN-106083807-A 4 amino 5 biphenyl 4 base 2 methylol 2 methylvaleric acid compounds and preparation method thereof 施万生物制药研发IP有限责任公司 2016-11-09 CN claimed
US-20130324459-A1 Compounds For Enzyme Inhibition ONYX THERAPEUTICS, INC. (US) 2013-12-05 US claimed
EP-2188298-B1 TETRAHYDROPYRAN NUCLEIC ACID ANALOGS ISIS PHARMACEUTICALS INC (US) 2013-09-18 EP claimed
EP-1745064-A2 COMPOUNDS FOR PROTEASOME ENZYME INHIBITION Proteolix, Inc. (US) 2007-01-24 EP claimed
US-20060287290-A1 Azabicyclic compounds are central nervous system active agents DART MICHAEL J 2006-12-21 US claimed
US-20060173199-A1 Method of preparation of heterocyclic molecules with pharmaceutical, pharmaceutical excipient, cosmeceutical, agrochemical and industrial uses HONG BORCHERNG 2006-08-03 US claimed
WO-2006031814-A2 ELECTROCHEMICAL DEBLOCKING USING A HYDRAZINE DERIVATIVE COMBIMATRIX CORPORATION (US) 2006-03-23 WO claimed
US-20060054511-A1 Electrochemical deblocking using a hydrazine derivative CUSTOMARRAY, INC. 2006-03-16 US claimed
WO-2005105827-A2 COMPOUNDS FOR PROTEASOME ENZYME INHIBITION PROTEOLIX, INC. (US) 2005-11-10 WO claimed
US-20050245435-A1 Peptide-based compounds include at least three peptide units, an epoxide or aziridine, and functionalization at the N-terminus inhibit specific activities of N-terminal nucleophile (Ntn) hydrolases, e.g., the chymotrypsin-like activity of the 20S proteasome; antiproliferative and antiinflammatory agents PROTEOLIX, INC. (US) 2005-11-03 US claimed
US-6841559-B1 Pyridinones to treat and prevent bacterial infections WASHINGTON UNIVERSITY OF ST. LOUIS (US) 2005-01-11 US claimed
US-5420149-A Hypotensive agents and artheriosclerosis BAYER AKTIENGESELLSCHAFT (DE) 1995-05-30 US claimed
US-5352687-A Hypotensive agents BAYER AKTIENGESELLSCHAFT (DE) 1994-10-04 US claimed

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

For each of this compound's patents that has machine-readable text (5 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-20130324459-A1 Compounds For Enzyme Inhibition ANPEP, DNPEP, CPN1 CES1 934/4885CES2 2259/4885ALDH1A1 2975/4885
US-20050245435-A1 Peptide-based compounds include at least three peptide units, an epoxide or aziridine, and functionalization at the N-terminus inhibit specific activities of N-terminal nucleophile (Ntn) hydrolases, e.g., the chymotrypsin-like activity of the 20S proteasome; antiproliferative and antiinflammatory agents ANPEP, DNPEP, PSMB1 CES1 1427/4885CES2 3063/4885ALDH1A1 3506/4885
US-20060173199-A1 Method of preparation of heterocyclic molecules with pharmaceutical, pharmaceutical excipient, cosmeceutical, agrochemical and industrial uses LSS, DHPS, CYP51A1 CES1 1016/4885CES2 2017/4885ALDH1A1 1435/4885
US-20060287290-A1 Azabicyclic compounds are central nervous system active agents ACHE, CHAT, CHRNA6 CES1 457/4885CES2 54/4885ALDH1A1 356/4885
US-20230293713-A1 ANTI-TM4SF1 ANTIBODY DRUG CONJUGATES AND METHODS OF USING SAME TM9SF4, TM9SF2, TM9SF3 CES1 1629/4885CES2 2828/4885ALDH1A1 2644/4885

“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.