SCHEMBL5372979

SCHEMBL5372979

Cc1c(C=CBr)c(C(F)(F)F)nn1C

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.34
CYP1A2 P05177 3/20 0.33
CYP2D6 P10635 2/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
FPR2 P25090 2/20 0.32
PROKR1 Q8TCW9 2/20 0.32
CYP2C19 P33261 2/20 0.32
CYP2C9 P11712 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL5372975 1.00 POLB (0.35) POLBALDH1A1GAACYP1A2CYP2D6
SCHEMBL5373017 0.82 ALDH1A1 (0.34) POLBALDH1A1GAACYP1A2CYP2D6
SCHEMBL5373012 0.82 ALDH1A1 (0.34) POLBALDH1A1GAACYP1A2CYP2D6
SCHEMBL764718 0.78 ALDH1A1 (0.36) POLBALDH1A1GAACYP1A2CYP2D6
SCHEMBL6294806 0.78 POLB (0.33) POLBALDH1A1GAACYP1A2CYP2D6
SCHEMBL5369754 0.73 ALDH1A1 (0.44) ALDH1A1GAACYP1A2CYP2D6NPC1
SCHEMBL5369758 0.73 ALDH1A1 (0.44) ALDH1A1GAACYP1A2CYP2D6NPC1
SCHEMBL5381056 0.71 ALDH1A1 (0.42) ALDH1A1GAACYP1A2CYP2D6NPC1
SCHEMBL5381060 0.71 ALDH1A1 (0.42) ALDH1A1GAACYP1A2CYP2D6NPC1
SCHEMBL9429829 0.71 POLB (0.36) POLBALDH1A1CYP1A2NPC1FPR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100355735-C Method for preparing arylalkyne BAYER CHEMICAL PRODUCT AG (DE) 2007-12-19 CN claimed
US-20040192952-A1 Process for preparing arylalkynes LANXESS DEUTSCHLAND GMBH (DE) 2004-09-30 US claimed
CN-1517340-A Method for preparing arylalkyne ˹���ػ�ѧ��Ʒ�ɷ����޹�˾ 2004-08-04 CN claimed
US-20040142820-A1 Pyrazolylarylalkines VENTURE LENDING & LEASING IX, INC. 2004-07-22 US claimed
EP-1437347-A2 PROCESS FOR THE PREPARATION OF ARYLVINYL HALIDES AND ARALKINYL COMPOUNDS Bayer Chemicals AG (DE) 2004-07-14 EP claimed
CN-100528845-C Pyrazolyl arync BAYER CHEMICAL PRODUCT AG (DE) 2009-08-19 CN disclosed
US-7312350-B2 Process for preparing arylalkynes LANXESS DEUTSCHLAND GMBH (DE) 2007-12-25 US disclosed
CN-100355735-C Method for preparing arylalkyne BAYER CHEMICAL PRODUCT AG (DE) 2007-12-19 CN disclosed
US-6916839-B2 Pyrazolylarylalkines BAYER CHEMICALS AKTIENGESELLSCHAFT (DE) 2005-07-12 US disclosed
US-20040192952-A1 Process for preparing arylalkynes LANXESS DEUTSCHLAND GMBH (DE) 2004-09-30 US disclosed
CN-1517340-A Method for preparing arylalkyne ˹���ػ�ѧ��Ʒ�ɷ����޹�˾ 2004-08-04 CN disclosed
CN-1517339-A Pyrazolyl arync 拜尔化学品股份公司 2004-08-04 CN disclosed
US-20040142820-A1 Pyrazolylarylalkines VENTURE LENDING & LEASING IX, INC. 2004-07-22 US disclosed
EP-1437347-A2 PROCESS FOR THE PREPARATION OF ARYLVINYL HALIDES AND ARALKINYL COMPOUNDS Bayer Chemicals AG (DE) 2004-07-14 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 (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-20040192952-A1 Process for preparing arylalkynes ARSA, STS, HDHD5 POLB 746/4885ALDH1A1 380/4885GAA 2162/4885
US-20040142820-A1 Pyrazolylarylalkines CBR3, PPOX, ALK POLB 951/4885ALDH1A1 603/4885GAA 2512/4885

“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.