SCHEMBL2114351

SCHEMBL2114351

Cc1ccc(C2CCCO2)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.44
HRH3 Q9Y5N1 2/20 0.44
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RAB9A P51151 1/20 0.38
SLC12A2 P55011 1/20 0.38
SLC12A5 Q9H2X9 1/20 0.38
SLC18A3 Q16572 1/20 0.38
MAOB P27338 4/20 0.37
PTGES2 Q9H7Z7 1/20 0.36

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
SCHEMBL13255952 1.00 KCNH2 (0.44) KCNH2HRH3MAPTHPGDSMN1; SMN2
SCHEMBL11110219 0.94 KCNH2 (0.46) KCNH2HRH3HPGDSMN1; SMN2NPC1
SCHEMBL13657897 0.89 MAOB (0.40) SMN1; SMN2ALDH1A1SLC18A3MAOB
SCHEMBL19662088 0.89 KCNH2 (0.50) KCNH2HRH3SMN1; SMN2PTGES2
SCHEMBL13241988 0.84 KIF11 (0.37) KCNH2HRH3MAPTSMN1; SMN2NPC1
SCHEMBL9772734 0.79 KCNH2 (0.44) KCNH2HRH3SMN1; SMN2PTGES2
SCHEMBL9772749 0.79 SLC6A2 (0.44) KCNH2HRH3HPGDSMN1; SMN2
SCHEMBL9772728 0.79 KCNH2 (0.44) KCNH2HRH3SMN1; SMN2PTGES2
SCHEMBL9772696 0.79 KCNH2 (0.44) KCNH2HRH3RAB9A
SCHEMBL6308450 0.79 SLC6A2 (0.44) KCNH2HRH3HPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0338010-B1 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF HYPERPROLIFERATE SKIN DISEASE SCHERING CORPORATION (US) 1992-02-05 EP claimed
EP-0228416-B1 PHARMACEUTICAL COMPOSITIONS CONTAINING AZANAPHTHALENES SCHERING CORPORATION (US) 1990-03-21 EP claimed
CN-118222538-B Halohydrin dehalogenase mutant and application thereof 南京工业大学 2024-09-20 CN disclosed
CN-118620972-A Application of halohydrin dehalogenase in catalytic synthesis of chiral tetrahydrofuran compound 南京工业大学 2024-09-10 CN disclosed
CN-118222538-A Halohydrin dehalogenase mutant and application thereof 南京工业大学 2024-06-21 CN disclosed
US-20220387589-A1 TRANS CAROTENOIDS, THEIR SYNTHESIS, FORMULATION AND USES DIFFUSION PHARMACEUTICALS LLC (US) 2022-12-08 US disclosed
US-20180271979-A1 TRANS CAROTENOIDS, THEIR SYNTHESIS, FORMULATION AND USES DIFFUSION PHARMACEUTICALS LLC (US) 2018-09-27 US disclosed
US-9950067-B2 Trans carotenoids, their synthesis, formulation and uses Diffusion Pharmaceuticals, LLC (US) 2018-04-24 US disclosed
US-20160199490-A1 TRANS CAROTENOIDS, THEIR SYNTHESIS, FORMULATION AND USES Diffusion Pharmaceuticals, LLC 2016-07-14 US disclosed
WO-2015116485-A1 PYRAZOLE COMPOUNDS AS BTK INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-08-06 WO disclosed
US-20120095099-A1 Trans carotenoids, their synthesis, formulation and uses DIFFUSION PHARMACEUTICALS LLC (US) 2012-04-19 US disclosed
US-8030350-B2 Trans carotenoids, their synthesis, formulation and uses DIFFUSION PHARMACEUTICALS LLC (US) 2011-10-04 US disclosed
US-20060194973-A1 Trans carotenoids, their synthesis, formulation and uses DIFFUSION PHARMACEUTICALS LLC (US) 2006-08-31 US 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 (5 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-20160199490-A1 TRANS CAROTENOIDS, THEIR SYNTHESIS, FORMULATION AND USES TTPA, RBP4, TXNRD2 KCNH2 4714/4885HRH3 4397/4885MAPT 1885/4885
US-20220387589-A1 TRANS CAROTENOIDS, THEIR SYNTHESIS, FORMULATION AND USES TTPA, RBP4, TXNRD2 KCNH2 4714/4885HRH3 4397/4885MAPT 1885/4885
US-20060194973-A1 Trans carotenoids, their synthesis, formulation and uses TTPA, RBP4, TXNRD2 KCNH2 4714/4885HRH3 4397/4885MAPT 1885/4885
US-20180271979-A1 TRANS CAROTENOIDS, THEIR SYNTHESIS, FORMULATION AND USES TTPA, RBP4, TXNRD2 KCNH2 4714/4885HRH3 4397/4885MAPT 1885/4885
US-20120095099-A1 Trans carotenoids, their synthesis, formulation and uses TTPA, RBP4, TXNRD2 KCNH2 4714/4885HRH3 4397/4885MAPT 1885/4885

“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.