SCHEMBL4169864

SCHEMBL4169864

CCCCCC#C[CH]C#CCCCCCC

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 7/20 0.45
PTPN7 P35236 5/20 0.45
TSHR P16473 1/20 0.42
THRB P10828 1/20 0.42
RECQL P46063 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
KCNH2 Q12809 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
ALOX12 P18054 1/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38
MCL1 Q07820 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL4429121 1.00 HMGCR (0.45) HMGCRPTPN7TSHRTHRBRECQL
SCHEMBL3023466 0.97 HMGCR (0.43) HMGCRPTPN7TSHRTHRBRECQL
SCHEMBL59533 0.95 HMGCR (0.41) HMGCRPTPN7TSHRTHRBRECQL
SCHEMBL2571403 0.84 TSHR (0.38) HMGCRPTPN7TSHR
SCHEMBL5168900 0.83 HMGCR (0.41) HMGCRPTPN7TSHRTHRBRECQL
SCHEMBL5170459 0.83 HMGCR (0.41) HMGCRPTPN7TSHRTHRBRECQL
SCHEMBL5169808 0.83 HMGCR (0.41) HMGCRPTPN7TSHRTHRBRECQL
SCHEMBL2118927 0.82 HMGCR (0.43) HMGCRPTPN7TSHRTHRBRECQL
SCHEMBL5167000 0.82 HMGCR (0.43) HMGCRPTPN7TSHRTHRBRECQL
SCHEMBL5166824 0.82 HMGCR (0.43) HMGCRPTPN7TSHRTHRBRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024085699-A1 COMPOUND FOR SHP2 PROTEIN DEGRADATION AND MEDICAL USES THEREOF 주식회사 유빅스테라퓨틱스 2024-04-25 WO disclosed
WO-2023018155-A1 COMPOUND HAVING SHP2 PROTEIN DEGRADING ACTIVITY, AND MEDICAL USES THEREOF 주식회사 유빅스테라퓨틱스 2023-02-16 WO disclosed
EP-3512516-A1 METHOD OF TREATMENT OF SHWACHMAN-DIAMOND SYNDROME Cipolli, Marco (IT) 2019-07-24 EP disclosed
WO-2018050706-A1 METHOD OF TREATMENT OF SHWACHMAN-DIAMOND SYNDROME CIPOLLI MARCO (IT) 2018-03-22 WO disclosed
EP-3153161-A1 SMALL MOLECULE INHIBITORS OF TRPA1 B.R.A.I.N. Biotechnology Research And Information Network AG (DE) 2017-04-12 EP disclosed
CN-104056278-B 1,2,4-oxadiazole benzoic acid compounds PTC 治疗公司 2017-01-18 CN disclosed
EP-2706995-B1 SMALL MOLECULE INHIBITORS OF TRPA1 BRAIN BIOTECHNOLOGY RES & INFORMATION NETWORK AG (DE) 2016-11-30 EP disclosed
EP-2604598-B1 TRPV1 antagonists and uses thereof PURDUE PHARMA LP (US) 2016-04-06 EP disclosed
EP-2797912-A1 AZETIDINE-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF Purdue Pharma LP (US) 2014-11-05 EP disclosed
EP-2709609-A1 HETEROCYCLIC COMPOUNDS Shionogi & Co., Ltd. (JP) 2014-03-26 EP disclosed
EP-1618098-A2 1,2,4-OXADIAZOLE BENZOIC ACID COMPOUNDS AND THEIR USE FOR NONSENSE SUPPRESSION AND THE TREATMENT OF DISEASE PCT Therapeutics Inc. (US) 2006-01-25 EP disclosed
EP-1603864-A2 DIPHENYLETHYLENE COMPOUNDS AND USES THEREOF CELGENE CORPORATION (US) 2005-12-14 EP disclosed
EP-1542991-A1 PYRIMIDINE COMPOUNDS AS THERAPEUTIC AGENTS Euro-Celtique, S.A. (LU) 2005-06-22 EP disclosed
US-20050107339-A1 Diphenylethylene compounds and uses thereof CELGENE CORPORATION 2005-05-19 US disclosed
EP-1507528-A2 METHODS FOR USING JNK INHIBITORS FOR TREATING OR PREVENTING DISEASE-RELATED WASTING Signal Pharmaceuticals, Inc. (US) 2005-02-23 EP disclosed
US-20050014727-A1 Diphenylethylene compounds and uses thereof CELGENE CORPORATION 2005-01-20 US disclosed
WO-2004091502-A2 1,2,4-OXADIAZOLE BENZOIC ACID COMPOUNDS PTC THERAPEUTICS, INC. (US) 2004-10-28 WO disclosed
WO-2004078144-A2 DIPHENYLETHYLENE COMPOUNDS AND USES THEREOF CELGENE CORPORATION (US) 2004-09-16 WO disclosed
WO-2004029044-A1 PYRIMIDINE COMPOUNDS AS THERAPEUTIC AGENTS EURO-CELTIQUE, S.A. (LU) 2004-04-08 WO disclosed
WO-2003099221-A2 METHODS FOR USING JNK INHIBITORS FOR TREATING OR PREVENTING DISEASE-RELATED WASTING SIGNAL PHARMACEUTICALS, INC. (US) 2003-12-04 WO 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-20050107339-A1 Diphenylethylene compounds and uses thereof VHL, TNF, PTGES HMGCR 163/4885PTPN7 1853/4885TSHR 4476/4885
US-20050014727-A1 Diphenylethylene compounds and uses thereof VHL, TNF, PTGES HMGCR 163/4885PTPN7 1853/4885TSHR 4476/4885

“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.