SCHEMBL445935

SCHEMBL445935

CC1(C)CCC(=O)c2cc(Br)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PARP1 P09874 1/20 0.40
PARP10 Q53GL7 1/20 0.40
S100A4 P26447 1/20 0.38
PDE4B Q07343 1/20 0.38
ESR1 P03372 2/20 0.38
ESR2 Q92731 2/20 0.38
PBRM1 Q86U86 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
TDP2 O95551 1/20 0.37
TGM2 P21980 1/20 0.36
CES1 P23141 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL30279114 1.00 MALT1 (0.41) MALT1TDP1L3MBTL1PARP1PARP10
SCHEMBL3893981 0.86 MALT1 (0.41) MALT1TDP1L3MBTL1PARP1PARP10
SCHEMBL8662092 0.83 PBRM1 (0.53) MALT1ESR1ESR2PBRM1CA1
SCHEMBL31650524 0.83 PBRM1 (0.53) MALT1ESR1ESR2PBRM1CA1
SCHEMBL484599 0.82 PDE4B (0.46) MALT1TDP1L3MBTL1PARP1PARP10
SCHEMBL31650363 0.81 KDM1A (0.42) MALT1TDP1L3MBTL1PARP1PARP10
SCHEMBL31650216 0.81 PARP1 (0.41) MALT1TDP1L3MBTL1PARP1PARP10
SCHEMBL6992256 0.81 ALDH1A1 (0.42) TDP1L3MBTL1PARP1PARP10ESR1
SCHEMBL15716876 0.79 MALT1 (0.41) MALT1PARP1PARP10CA1CA2
SCHEMBL6240700 0.79 HSD17B10 (0.44) TDP1L3MBTL1S100A4ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3617195-B1 NOVEL TETRAHYDRONAPHTHYL UREA DERIVATIVES AS INHIBITORS OF TROPOMYOSIN RECEPTOR KINASE A FOR THE TREATMENT OF PAIN MOCHIDA PHARM CO LTD (JP) 2024-08-28 EP disclosed
WO-2024112654-A1 SPIROCYCLIC DIHYDROPYRANOPYRIMIDINE KRAS INHIBITORS Treeline Biosciences, Inc. (US) 2024-05-30 WO disclosed
CN-118076581-A Iron death modulators, their preparation and use 维泰瑞隆有限公司 2024-05-24 CN disclosed
CN-110831926-B Tetrahydronaphtyl urea derivatives 持田制药株式会社 2023-11-21 CN disclosed
WO-2023016447-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2023-02-16 WO disclosed
US-10927079-B2 Intermediate compound of novel tetrahydronaphthyl urea derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2021-02-23 US disclosed
US-10889589-B2 Bicyclic urea, thiourea, guanidine and cyanoguanidine compounds useful for the treatment of pain ARRAY BIOPHARMA INC. (US) 2021-01-12 US disclosed
US-10889589-B2 Bicyclic urea, thiourea, guanidine and cyanoguanidine compounds useful for the treatment of pain ARRAY BIOPHARMA INC. (US) 2021-01-12 US disclosed
US-20200239419-A1 NOVEL TETRAHYDRONAPHTHYL UREA DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2020-07-30 US disclosed
US-20200216407-A1 RETINOID COMPOUND, PREPARATION METHOD THEREFOR, INTERMEDIATES THEREOF AND APPLICATION THEREOF SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2020-07-09 US disclosed
CN-1144217-A Retinoid-like compounds BRISTOL MYERS SQUIBB CO (US) 1997-03-05 CN disclosed
US-5605915-A TREATING SKIN DISORDERS ALLERGAN 1997-02-25 US disclosed
US-5599967-A SKIN DISORDERS, VISION DISORDERS, ANTIINFLAMMATORY AGENTS ALLERGAN 1997-02-04 US disclosed
US-5591858-A Acetylenes disubstituted with a 5 substituted tetrahydronaphthyl group and with an aryl or heteroaryl group having retinoid-like biological activity ALLERGAN 1997-01-07 US disclosed
WO-1996033716-A1 RARβ SELECTIVE RETINOID COMPOUNDS FOR INHIBITING GENE EXPRESSION PROMOTED BY AP1 PROTEIN AND THEIR USE IN THERAPY ALLERGAN (US) 1996-10-31 WO disclosed
US-5543534-A Acetylenes disubstituted with a 5 substituted tetrahydronaphthyl group and with an aryl or heteroaryl groups having retinoid-like biological activity ALLERGAN 1996-08-06 US disclosed
WO-1996020930-A1 ACETYLENES DISUBSTITUTED WITH A 5 OR 8 SUBSTITUTED TETRAHYDRONAPHTHYL OR DIHYDRONAPHTHYL GROUP AND WITH AN ARYL OR HETEROARYL GROUPS HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY ALLERGAN (US) 1996-07-11 WO disclosed
US-5514825-A SYNTHETIC RETINOIDS ALLERGAN, INC. (US) 1996-05-07 US disclosed
US-5489584-A ANTIINFLAMMATORY AGENTS, ANTICARCINOGENIC AGENTS; TREATING SKIN DISORDER, CARDIOVASCULAR DISORDER ALLERGAN, INC. (US) 1996-02-06 US disclosed
EP-0661259-A1 Substituted (5,6)-dihydronaphthalenyl compounds having retinoid-like activity BRISTOL-MYERS SQUIBB COMPANY (US) 1995-07-05 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 (4 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-20200239419-A1 NOVEL TETRAHYDRONAPHTHYL UREA DERIVATIVE CCNT2, UTS2R, DIMT1 MALT1 2486/4885TDP1 2292/4885L3MBTL1 1113/4885
US-10927079-B2 Intermediate compound of novel tetrahydronaphthyl urea derivative CCNT2, DIMT1, QTRT2 MALT1 2523/4885TDP1 2462/4885L3MBTL1 1534/4885
US-10889589-B2 Bicyclic urea, thiourea, guanidine and cyanoguanidine compounds useful for the treatment of pain TK1, UACA, TDP1 MALT1 1035/4885TDP1 3/4885L3MBTL1 3382/4885
US-20200216407-A1 RETINOID COMPOUND, PREPARATION METHOD THEREFOR, INTERMEDIATES THEREOF AND APPLICATION THEREOF RARA, RARB, RARG MALT1 181/4885TDP1 4518/4885L3MBTL1 4132/4885

“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.