SCHEMBL4798121

SCHEMBL4798121

SC(CCc1ccccc1)CCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
ALOX12 P18054 1/20 0.48
CASP1 P29466 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CNR2 P34972 1/20 0.47
TDP1 Q9NUW8 2/20 0.46
CYP2A6 P11509 1/20 0.46
HTR2A P28223 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.46
ANPEP P15144 2/20 0.45
ERAP1 Q9NZ08 2/20 0.45
ERAP2 Q6P179 1/20 0.45
ACP3 P15309 1/20 0.44
IDO1 P14902 1/20 0.43
TSHR P16473 1/20 0.42
MAOA P21397 1/20 0.42

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
SCHEMBL10045634 0.89 SIGMAR1 (0.44) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL1261202 0.84 ALDH1A1 (0.48) ALDH1A1HPGDALOX15ALOX12CASP1
Bromide SCHEMBL1047245 0.81 CSNK1E (0.46) CNR2HTR2ASMN1; SMN2
Hydrochloric Acid SCHEMBL9347571 0.81 CSNK1E (0.46) CNR2HTR2ASMN1; SMN2
Water SCHEMBL9244237 0.81 CSNK1E (0.46) CNR2HTR2ASMN1; SMN2
SCHEMBL15022959 0.80 ANPEP (0.52) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL11752094 0.80 CNR2 (0.48) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL6729364 0.80 TSHR (0.48) ALDH1A1HPGDCNR2SMN1; SMN2TSHR
SCHEMBL17807999 0.80 TSHR (0.48) ALDH1A1HPGDCNR2SMN1; SMN2TSHR
SCHEMBL28721827 0.80 CNR2 (0.44) ALDH1A1HPGDALOX15ALOX12CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1083873-B1 HETEROCYCLIC THIOESTER AND KETONE HAIR GROWTH COMPOSITIONS AND USES MGI GP INC (US) 2006-08-09 EP claimed
US-7410995-B1 N-linked sulfonamide of heterocyclic thioesters for vision and memory disorders GPI NIL HOLDINGS INC. (US) 2008-08-12 US disclosed
US-6943187-B2 Pyrrolidine derivative hair growth compositions and uses GPI NIL HOLDINGS, INC. (US) 2005-09-13 US disclosed
EP-1479373-A1 Hair growth compositions and uses GPI NIL Holdings, Inc. (US) 2004-11-24 EP disclosed
US-20040186098-A1 Method for preventing and treating hearing loss using sensorineurotrophic compounds AMGEN INC. 2004-09-23 US disclosed
EP-0983054-B1 HAIR GROWTH COMPOSITIONS AND USES GUILFORD PHARM INC (US) 2004-09-15 EP disclosed
EP-1404325-A2 METHOD FOR TREATING NERVE INJURY CAUSED BY SURGERY GUILFORD PHARMACEUTICALS INC. (US) 2004-04-07 EP disclosed
US-20030203890-A1 Method for treating nerve injury caused as a result of surgery NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2003-10-30 US disclosed
US-20020198250-A1 Pyrrolidine derivative hair growth compositions and uses GLIAMED, INC. 2002-12-26 US disclosed
WO-2002096420-A2 METHOD FOR TREATING NERVE INJURY CAUSED BY SURGERY GUILFORD PHARMACEUTICALS INC. (US) 2002-12-05 WO disclosed
EP-1085854-A1 N-LINKED SULFONAMIDE OF HETEROCYCLIC THIOESTER HAIR GROWTH COMPOUNDS AND USES GPI NIL Holdings, Inc. (US) 2001-03-28 EP disclosed
US-6187806-B1 3-PHENYLPROPYL(2S)-N-(BENZYLSULFONYL)PYRROLIDINE-2-CARBOXYTHIOATE, FOR EXAMPLE AND OTHER COMPOUNDS THAT HAVE AN AFFINITY FOR AN FKBP-TYPE IMMUNOPHILIN AND ARE NON-IMMUNOSUPPRESSIVE; FOR TREATING ALOPECIA GPI NIL HOLDINGS 2001-02-13 US disclosed
EP-1011650-A1 METHOD FOR PREVENTING AND TREATING HEARING LOSS USING SENSORINEUROTROPHIC COMPOUNDS Amgen Inc., (US) 2000-06-28 EP disclosed
WO-2000016603-A2 BRIDGED HETEROCYCLIC DERIVATIVES GPI NIL HOLDINGS, INC. (US) 2000-03-30 WO disclosed
WO-2000009108-A2 COMPOSITIONS AND USES FOR VISION AND MEMORY DISORDERS GPI NIL HOLDINGS, INC. (US) 2000-02-24 WO disclosed
WO-2000009107-A2 SULFONAMIDES OF N-CONTAINING HETEROCYCLIC THIOESTERS FOR VISION AND MEMORY DISORDERS GPI NIL HOLDINGS, INC. (US) 2000-02-24 WO disclosed
US-6004993-A TREATMENT OF ALOPECIA IN ANIMALS GPI NIL HOLDINGS, INC. (US) 1999-12-21 US disclosed
WO-1999062489-A1 N-LINKED SULFONAMIDE OF HETEROCYCLIC THIOESTER HAIR GROWTH COMPOUNDS AND USES GPI NIL HOLDINGS, INC. (US) 1999-12-09 WO disclosed
WO-1999014998-A2 METHOD FOR PREVENTING AND TREATING HEARING LOSS USING SENSORINEUROTROPHIC COMPOUNDS AMGEN INC. (US) 1999-04-01 WO disclosed
US-5874449-A INHIBITORS OF IMMUNOPHILIN GPI NIL HOLDINGS, INC. (US) 1999-02-23 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 (3 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-20040186098-A1 Method for preventing and treating hearing loss using sensorineurotrophic compounds GAP43, CHAT, MYOC ALDH1A1 508/4885HPGD 532/4885ALOX15 1955/4885
US-20030203890-A1 Method for treating nerve injury caused as a result of surgery NGF, BDNF, GAP43 ALDH1A1 824/4885HPGD 424/4885ALOX15 1698/4885
US-20020198250-A1 Pyrrolidine derivative hair growth compositions and uses MKI67, PLOD2, HDGF ALDH1A1 757/4885HPGD 71/4885ALOX15 1800/4885

“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.