SCHEMBL5145681

SCHEMBL5145681

CCCCCCCCCCC(C)(C)CC

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
THRB P10828 1/20 0.47
GGPS1 O95749 6/20 0.41
FDPS P14324 9/20 0.39
FFAR1 O14842 1/20 0.39
CPT2 P23786 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SMPD1 P17405 2/20 0.38
CES2 O00748 1/20 0.38
LPAR1 Q92633 1/20 0.38
LPAR3 Q9UBY5 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
SCHEMBL1517575 1.00 TSHR (0.47) TSHRTHRBGGPS1FDPSFFAR1
SCHEMBL9173238 1.00 TSHR (0.47) TSHRTHRBGGPS1FDPSFFAR1
SCHEMBL1116257 1.00 TSHR (0.47) TSHRTHRBGGPS1FDPSFFAR1
SCHEMBL1116213 1.00 TSHR (0.47) TSHRTHRBGGPS1FDPSFFAR1
SCHEMBL3341694 1.00 TSHR (0.47) TSHRTHRBGGPS1FDPSFFAR1
SCHEMBL27324088 1.00 TSHR (0.47) TSHRTHRBGGPS1FDPSFFAR1
SCHEMBL11797179 1.00 TSHR (0.47) TSHRTHRBGGPS1FDPSFFAR1
SCHEMBL9327276 1.00 TSHR (0.47) TSHRTHRBGGPS1FDPSFFAR1
SCHEMBL598125 0.97 TSHR (0.41) TSHRTHRBGGPS1FDPSFFAR1
SCHEMBL7863984 0.91 TDP1 (0.43) TSHRFFAR1CPT2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9896408-B2 Method for producing azido-amine derivative FUJIFILM FINECHEMICALS CO., LTD. (JP) 2018-02-20 US disclosed
EP-3165519-A1 METHOD FOR PRODUCING AZIDO AMINE DERIVATIVE Fujifilm Finechemicals Co., Ltd. (JP) 2017-05-10 EP disclosed
US-20170121272-A1 METHOD FOR PRODUCING AZIDO-AMINE DERIVATIVE FUJIFILM FINECHEMICALS CO., LTD (JP) 2017-05-04 US disclosed
CN-100422124-C Fused ring compound DAINIPPON INK & CHEMICALS (JP) 2008-10-01 CN disclosed
US-7273953-B2 Process for producing arylamine FUJIFILM FINECHEMICALS CO., LTD. (JP) 2007-09-25 US disclosed
US-20060069287-A1 Process for producing arylamine FUJIFILM FINECHEMICALS CO., LTD. (JP) 2006-03-30 US disclosed
CN-1199947-C Process for preparing pyridine derivatives SANKIO CHEMICAL CO LTD (JP) 2005-05-04 CN disclosed
EP-1243579-B1 PROCESS FOR THE PRODUCTION OF PYRIDINE DERIVATIVES SANKIO CHEMICAL CO LTD (JP) 2005-01-26 EP disclosed
CN-1402708-A Process for production of pyridine derivs. SANKIO CHEMICAL CO LTD (JP) 2003-03-12 CN disclosed
US-6509469-B1 Reacting 1,2,4-triazine compound with vinyl carboxylate SANKIO CHEMICAL CO., LTD. (JP) 2003-01-21 US disclosed
EP-1243579-A1 PROCESS FOR THE PRODUCTION OF PYRIDINE DERIVATIVES Sankio Chemical Co., Ltd. (JP) 2002-09-25 EP disclosed
CN-1371347-A Fused ring compound DAINIPPON INK & CHEMICALS (JP) 2002-09-25 CN disclosed
US-6218576-B1 CONDENSING ARYLAMINE IN PRESENCE OF ANHYDROUS ALUMINUM CHLORIDE AND CALCIUM CHLORIDE; ARYLATION SANKIO CHEMICAL CO., LTD. (JP) 2001-04-17 US disclosed
EP-0531715-B1 Process for producing alcohols and ketones SUMITOMO CHEMICAL CO (JP) 1997-11-05 EP disclosed
US-5426237-A Oxidation of straight, branched or cyclic alkanes and benzene derivatives in presence of transition metal catalyst and aldehyde SUMITOMO CHEMICAL CO., LTD. (JP) 1995-06-20 US disclosed
EP-0531715-A1 Process for producing alcohols and ketones SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-03-17 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-20060069287-A1 Process for producing arylamine TYR, AADAC, AOC2 TSHR 605/4885THRB 1615/4885GGPS1 4646/4885
US-20170121272-A1 METHOD FOR PRODUCING AZIDO-AMINE DERIVATIVE AZI2, ACR, AOC2 TSHR 1112/4885THRB 3028/4885GGPS1 3460/4885

“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.