SCHEMBL5530294

SCHEMBL5530294

CCc1c(C)cccc1C=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
TSHR P16473 1/20 0.56
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
THRB P10828 1/20 0.42
BLM P54132 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TRIM24 O15164 2/20 0.42
TRIM33 Q9UPN9 2/20 0.42
ERN1 O75460 3/20 0.38
HTT P42858 2/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TLR2 O60603 1/20 0.36
TLR1 Q15399 1/20 0.36
TLR6 Q9Y2C9 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
NOS3 P29474 1/20 0.34

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
SCHEMBL7178419 0.84 ALDH1A1 (0.52) ALDH1A1TSHRMEN1LMNATHRB
SCHEMBL8533367 0.82 ALDH1A1 (0.54) ALDH1A1TSHRMEN1LMNATHRB
SCHEMBL28664019 0.81 TSHR (0.48) ALDH1A1TSHRMEN1LMNATHRB
SCHEMBL28259498 0.81 ALDH1A1 (0.41) ALDH1A1TSHRMEN1LMNATHRB
SCHEMBL547944 0.81 MEN1 (0.44) ALDH1A1TSHRMEN1LMNATHRB
SCHEMBL16950873 0.79 ALDH1A1 (0.36) ALDH1A1TSHRLMNAHTTSMN1; SMN2
SCHEMBL29700800 0.79 ALDH1A1 (0.35) ALDH1A1TSHRTDP1HTTCA1
SCHEMBL9310181 0.79 ALDH1A1 (0.35) ALDH1A1TSHRTDP1HTTCA1
SCHEMBL10013795 0.78 ALDH1A1 (0.45) ALDH1A1TSHRMEN1LMNATHRB
SCHEMBL5840969 0.78 MEN1 (0.41) ALDH1A1TSHRMEN1LMNATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109438238-B Synthetic method of dihydrocinnamate compound 陕西师范大学 2021-04-13 CN disclosed
US-10889555-B2 Sulfonamide compound or salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2021-01-12 US disclosed
US-20200405697-A1 Antitumor Agent TAIHO PHARMACEUTICAL CO., LTD. (JP) 2020-12-31 US disclosed
US-20200399235-A1 Sulfonamide Compound or Salt Thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2020-12-24 US disclosed
EP-3718545-A1 ANTITUMOR AGENT Taiho Pharmaceutical Co., Ltd. (JP) 2020-10-07 EP disclosed
US-20200157066-A1 Sulfonamide Compound or Salt Thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2020-05-21 US disclosed
EP-3466934-A1 SULFONAMIDE COMPOUND OR SALT THEREOF Taiho Pharmaceutical Co., Ltd. (JP) 2019-04-10 EP disclosed
US-20180141919-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2018-05-24 US disclosed
WO-2017209155-A1 SULFONAMIDE COMPOUND OR SALT THEREOF 大鵬薬品工業株式会社 2017-12-07 WO disclosed
US-20170096404-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2017-04-06 US disclosed
US-8524725-B2 Methods of using diaminopyrimidine as P2X3 and P2X⅔ receptor modulators for treatment of respiratory and gastrointestinal diseases ROCHE PALO ALTO LLC (US) 2013-09-03 US disclosed
US-20130225570-A1 METHODS OF USING DIAMINOPYRIMIDINE P2X3 AND P2X2/3 RECEPTOR MODULATORS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISEASES ROCHE PALO ALTO LLC (US) 2013-08-29 US disclosed
US-20120122859-A1 METHODS OF USING DIAMINOPYRIMIDINE AS P2X3 AND P2X2/3 RECEPTOR MODULATORS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISEASES ROCHE PALO ALTO LLC. 2012-05-17 US disclosed
US-20110077242-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC 2011-03-31 US disclosed
US-5214187-A Pesticide intermediates BASF AKTIENGESELLSCHAFT (DE) 1993-05-25 US disclosed
US-5202503-A Chemical intermediates for the preparation of pesticides BASF AKTIENGESELLSCHAFT (DE) 1993-04-13 US disclosed
EP-0347693-B1 BENZONITRILES, BENZALDEHYDES AND BENZYL ALCOHOLS, AND PROCESSES FOR THEIR PRODUCTION BASF Aktiengesellschaft (DE) 1992-09-09 EP disclosed
US-5101061-A Pesticide Intermediates BASF AKTIENGESELLSCHAFT (DE) 1992-03-31 US disclosed
US-4950796-A CHEMICAL INTERMEDIATES FOR INSECTICIDES, ACARICIDES BASF AKTIENGESELLSCHAFT (DE) 1990-08-21 US disclosed
EP-0347693-A1 Benzonitriles, benzaldehydes and benzyl alcohols, and processes for their production BASF Aktiengesellschaft (DE) 1989-12-27 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 (9 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-20200399235-A1 Sulfonamide Compound or Salt Thereof RNASEH1, SNRPA1, RRM2 ALDH1A1 1103/4885TSHR 840/4885MEN1 4320/4885
US-20180141919-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX6, P2RX2 ALDH1A1 2017/4885TSHR 1029/4885MEN1 4113/4885
US-20200157066-A1 Sulfonamide Compound or Salt Thereof RNASEH1, SNRPA1, RRM2 ALDH1A1 1103/4885TSHR 840/4885MEN1 4320/4885
US-10889555-B2 Sulfonamide compound or salt thereof RNASEH1, SNRPA1, RRM2 ALDH1A1 1103/4885TSHR 840/4885MEN1 4320/4885
US-20110077242-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX6, P2RX2 ALDH1A1 2077/4885TSHR 860/4885MEN1 3820/4885
US-20120122859-A1 METHODS OF USING DIAMINOPYRIMIDINE AS P2X3 AND P2X2/3 RECEPTOR MODULATORS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISEASES P2RX3, P2RX2, P2RX6 ALDH1A1 2007/4885TSHR 558/4885MEN1 4461/4885
US-20170096404-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX6, P2RX2 ALDH1A1 2017/4885TSHR 1029/4885MEN1 4113/4885
US-20130225570-A1 METHODS OF USING DIAMINOPYRIMIDINE P2X3 AND P2X2/3 RECEPTOR MODULATORS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISEASES P2RX3, P2RX2, P2RX1 ALDH1A1 2230/4885TSHR 533/4885MEN1 4354/4885
US-20200405697-A1 Antitumor Agent HNRNPR, RRM2, RRM2B ALDH1A1 1397/4885TSHR 284/4885MEN1 3770/4885

“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.