SCHEMBL255035

SCHEMBL255035

CC(C)c1cccc(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.55
HTR2A P28223 2/20 0.52
HTR2B P41595 2/20 0.52
HTR2C P28335 1/20 0.52
IDO1 P14902 1/20 0.51
TDO2 P48775 1/20 0.51
DAO P14920 1/20 0.51
PTPN5 P54829 2/20 0.50
ACP3 P15309 2/20 0.50
CES2 O00748 2/20 0.50
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
KIF11 P52732 2/20 0.47
NPSR1 Q6W5P4 1/20 0.46
SIGMAR1 Q99720 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
ADRA2C P18825 1/20 0.45
SLC6A4 P31645 1/20 0.45
ADRA1A P35348 1/20 0.45

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
Ammonia Solution, Strong SCHEMBL27629775 0.98 PNMT (0.53) PNMTHTR2AHTR2BHTR2CIDO1
SCHEMBL4784095 0.89 DAO (0.48) PNMTHTR2AHTR2BHTR2CIDO1
SCHEMBL2662570 0.88 PTPN5 (0.65) PNMTHTR2AHTR2BHTR2CDAO
SCHEMBL2601113 0.87 DAO (0.59) PNMTHTR2AHTR2BHTR2CIDO1
SCHEMBL23343776 0.85 PNMT (0.53) PNMTHTR2AHTR2BHTR2CIDO1
SCHEMBL7336199 0.85 PNMT (0.53) PNMTHTR2AHTR2BHTR2CIDO1
SCHEMBL23590454 0.85 PTPN5 (0.49) PNMTHTR2AHTR2BHTR2CIDO1
SCHEMBL10199855 0.85 PTPN5 (0.49) PNMTHTR2AHTR2BHTR2CIDO1
SCHEMBL22189207 0.84 PNMT (0.56) PNMTHTR2AHTR2BHTR2CIDO1
SCHEMBL14020503 0.84 PPARG (0.51) HTR2AHTR2BHTR2CIDO1TDO2

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 1313 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1219608-A1 PYRIMIDINE DERIVATIVES, PROCESS FOR PREPARING THE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2002-07-03 EP claimed
US-4436941-A Process for the isomerization of alkylbenzotrifluorides BAYER AKTIENGESELLSCHAFT (DE) 1984-03-13 US claimed
US-20240239772-A1 PROTEASE INHIBITORS AND METHODS OF USE THE CLEVELAND CLINIC FOUNDATION 2024-07-18 US disclosed
US-12037323-B2 Uracil derivatives as Mer-AXL inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-16 US disclosed
US-12037323-B2 Uracil derivatives as Mer-AXL inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-16 US disclosed
US-20240228535-A1 PROTEASE INHIBITORS FOR TREATING OR PREVENTING CORONAVIRUS INFECTION MERCK SHARP & DOHME LLC (US) 2024-07-11 US disclosed
US-12030876-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof Ikena Oncology, Inc. (US) 2024-07-09 US disclosed
US-12030876-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof Ikena Oncology, Inc. (US) 2024-07-09 US disclosed
US-20240208993-A1 FIVE- AND SIX-MEMBERED COMPOUND, AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL COMPOSITION AND USE THEREOF HANGZHOU POLYMED BIOPHARMACEUTICALS, INC. (CN) 2024-06-27 US disclosed
US-20240208968-A1 ALPHA V BETA 6 AND ALPHA V BETA 1 INTEGRIN INHIBITORS AND USES THEREOF DICE MOLECULES SV, INC. 2024-06-27 US disclosed
US-20240208968-A1 ALPHA V BETA 6 AND ALPHA V BETA 1 INTEGRIN INHIBITORS AND USES THEREOF DICE MOLECULES SV, INC. 2024-06-27 US disclosed
EP-0635485-A1 TETRAHYDROPHTHALAMIDE DERIVATIVE, INTERMEDIATE FOR PRODUCING THE SAME, PRODUCTION OF BOTH, AND HERBICIDE CONTAINING THE SAME AS ACTIVE INGREDIENT SAGAMI CHEMICAL RESEARCH CENTER (JP) 1995-01-25 EP disclosed
US-4749813-A 4-alkyl-2-trifluoromethylanilines BAYER AKTIENGESELLSCHAFT (DE) 1988-06-07 US disclosed
EP-0084128-B1 PROCESS FOR THE PREPARATION OF ALKYLBENZENES SUBSTITUTED BY RADICALS CONTAINING FLUORINE BAYER AG (DE) 1987-01-21 EP disclosed
EP-0084320-B1 4-ALKYL-2-TRIFLUOROMETHYL ANILINES BAYER AG (DE) 1985-08-28 EP disclosed
EP-0084648-B1 PROCESS FOR THE ISOMERIZATION OF ALKYLBENZOTRIFLUORIDES BAYER AG (DE) 1984-11-07 EP disclosed
US-4436941-A Process for the isomerization of alkylbenzotrifluorides BAYER AKTIENGESELLSCHAFT (DE) 1984-03-13 US disclosed
EP-0084648-A1 Process for the isomerization of alkylbenzotrifluorides BAYER AG (DE) 1983-08-03 EP disclosed
EP-0084320-A2 4-Alkyl-2-trifluoromethyl anilines BAYER AG (DE) 1983-07-27 EP disclosed
EP-0084128-A1 Process for the preparation of alkylbenzenes substituted by radicals containing fluorine BAYER AG (DE) 1983-07-27 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 (6 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-20240208968-A1 ALPHA V BETA 6 AND ALPHA V BETA 1 INTEGRIN INHIBITORS AND USES THEREOF ITGB1, ITGA1, ITGAV PNMT 3195/4885HTR2A 3854/4885HTR2B 3181/4885
US-20240228535-A1 PROTEASE INHIBITORS FOR TREATING OR PREVENTING CORONAVIRUS INFECTION PRSS1, PRSS2, ACE2 PNMT 3650/4885HTR2A 3400/4885HTR2B 2462/4885
US-12037323-B2 Uracil derivatives as Mer-AXL inhibitors MERTK, DAPK1, AXL PNMT 4000/4885HTR2A 4075/4885HTR2B 4475/4885
US-12030876-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof AHR, ARNT, HCAR1 PNMT 1402/4885HTR2A 194/4885HTR2B 259/4885
US-20240208993-A1 FIVE- AND SIX-MEMBERED COMPOUND, AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL COMPOSITION AND USE THEREOF IRAK4, FLT3, IRAK2 PNMT 4642/4885HTR2A 4349/4885HTR2B 2584/4885
US-20240239772-A1 PROTEASE INHIBITORS AND METHODS OF USE ACE2, ACE, TMPRSS2 PNMT 3053/4885HTR2A 2198/4885HTR2B 2176/4885

“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.