SCHEMBL6753902

SCHEMBL6753902

CCCCCC#CCCCCl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.55
ALDH1A1 P00352 2/20 0.55
TDP1 Q9NUW8 3/20 0.53
PTPN7 P35236 5/20 0.46
HMGCR P04035 2/20 0.46
RECQL P46063 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
ALOX12 P18054 1/20 0.43
BLM P54132 1/20 0.43
KMT2A Q03164 1/20 0.43
MCL1 Q07820 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
EPHX2 P34913 3/20 0.37
THRB P10828 1/20 0.37
KCNH2 Q12809 1/20 0.35

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
SCHEMBL27216011 0.97 TSHR (0.60) TSHRALDH1A1TDP1PTPN7HMGCR
SCHEMBL8410683 0.97 TSHR (0.60) TSHRALDH1A1TDP1PTPN7HMGCR
SCHEMBL28214293 0.92 TSHR (0.68) TSHRALDH1A1TDP1PTPN7HMGCR
SCHEMBL8413428 0.92 TSHR (0.68) TSHRALDH1A1TDP1PTPN7HMGCR
SCHEMBL21484045 0.92 TSHR (0.68) TSHRALDH1A1TDP1PTPN7HMGCR
SCHEMBL8412547 0.92 TSHR (0.68) TSHRALDH1A1TDP1PTPN7HMGCR
SCHEMBL10886003 0.92 TSHR (0.68) TSHRALDH1A1TDP1PTPN7HMGCR
SCHEMBL8413427 0.92 TSHR (0.68) TSHRALDH1A1TDP1PTPN7HMGCR
SCHEMBL11067391 0.92 TSHR (0.56) TSHRALDH1A1TDP1PTPN7HMGCR
SCHEMBL3317342 0.86 TSHR (0.60) TSHRALDH1A1TDP1PTPN7HMGCR

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-56073033-A None JP disclosed
CN-107884493-B Method for analyzing short-chain chlorinated paraffin in environmental sample by using full-two-dimensional gas chromatography-time-of-flight mass spectrometry 国家地质实验测试中心 2020-11-24 CN disclosed
EP-1233669-B1 BLOCKING AN ETHYLENE RESPONSE IN PLANTS USING CYCLOPROPENE DERIVATIVES UNIV NORTH CAROLINA STATE (US) 2004-02-25 EP disclosed
EP-1233669-A2 BLOCKING AN ETHYLENE RESPONSE IN PLANTS USING CYCLOPROPENE DERIVATIVES NORTH CAROLINA STATE UNIVERSITY (US) 2002-08-28 EP disclosed
US-6365549-B2 PRESERVATION NORTH CAROLINA STATE UNIVERSITY 2002-04-02 US disclosed
US-20010019995-A1 Methods of blocking an ethylene response in plants using cyclopropene derivatives NORTH CAROLINA STATE UNIVERSITY 2001-09-06 US disclosed
WO-2001037663-A2 BLOCKING AN ETHYLENE RESPONSE IN PLANTS USING CYCLOPROPENE DERIVATIVES NORTH CAROLINA STATE UNIVERSITY (US) 2001-05-31 WO disclosed
EP-0084860-A1 A novel compound 5-chloro-1-bromo-1-pentyne and a method for the preparation thereof Shin-Etsu Chemical Co., Ltd. (JP) 1983-08-03 EP disclosed
JP-S5673033-A 1-HALO-4-DECYNE COMPOUND SHIN ETSU CHEM CO LTD 1981-06-17 JP 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-20010019995-A1 Methods of blocking an ethylene response in plants using cyclopropene derivatives PRUNE1, NOTUM, FAR1 TSHR 2454/4885ALDH1A1 3933/4885TDP1 2862/4885

“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.