SCHEMBL1995047

SCHEMBL1995047

CC(C)(c1ccccc1)c1ccc(OP(=O)([O-])Oc2ccc(C(C)(C)c3ccccc3)cc2)cc1.[Na+]

nearest known ligand 0.50

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR2 known ✓ Q92731 1/20 0.44
GPR84 Q9NQS5 1/20 0.50
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 5/20 0.44
ESR1 P03372 1/20 0.44
CYP3A4 P08684 1/20 0.44
NR3C2 P08235 2/20 0.44
KDM4E B2RXH2 6/20 0.42
POLB P06746 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
Lithium Ion SCHEMBL4623871 0.97 GPR84 (0.46) GPR84MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL9332956 0.84 CYP3A4 (0.50) MEN1KMT2ASMN1; SMN2ALDH1A1ESR1
SCHEMBL1548707 0.82 CYP3A4 (0.48) MEN1KMT2ASMN1; SMN2ALDH1A1ESR1
SCHEMBL6472688 0.82 CYP3A4 (0.48) MEN1KMT2ASMN1; SMN2ALDH1A1ESR1
SCHEMBL402058 0.82 GPR84 (0.47) GPR84SMN1; SMN2ALDH1A1CYP3A4POLB
SCHEMBL8659995 0.82 GPR84 (0.47) GPR84SMN1; SMN2ALDH1A1CYP3A4POLB
SCHEMBL1900143 0.81 ALDH1A1 (0.50) MEN1KMT2ASMN1; SMN2ALDH1A1ESR1
SCHEMBL5077474 0.81 SRC (0.62) MEN1KMT2ASMN1; SMN2ALDH1A1ESR1
SCHEMBL11508054 0.81 MEN1 (0.46) MEN1KMT2ASMN1; SMN2ALDH1A1ESR1
SCHEMBL218852 0.80 CYP3A4 (0.50) MEN1KMT2ASMN1; SMN2ALDH1A1ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4474426-A1 POLYCARBONATE-BASED RESIN COMPOSITION AND MOLDED OBJECT Kaneka Corporation (JP) 2024-12-11 EP disclosed
CN-118574893-A Polycarbonate resin composition and molded article 株式会社钟化 2024-08-30 CN disclosed
WO-2023234367-A1 POLYCARBONATE RESIN COMPOSITION AND SHAPED ARTICLE 株式会社カネカ 2023-12-07 WO disclosed
WO-2023149409-A1 POLYCARBONATE-BASED RESIN COMPOSITION AND MOLDED OBJECT 株式会社カネカ 2023-08-10 WO disclosed
EP-2883925-B1 Polypropylene based composition REPSOL SA (ES) 2016-10-05 EP disclosed
EP-2883925-A1 Polypropylene based composition Repsol, S.A. (ES) 2015-06-17 EP disclosed
US-8969436-B2 Method of producing a molded article TEIJIN CHEMICALS, LTD. (JP) 2015-03-03 US disclosed
US-8697788-B2 Polycarbonate resin composition and molded article thereof TEIJIN CHEMICALS, LTD. (JP) 2014-04-15 US disclosed
US-20120252941-A1 BISBENZOXAZINONE COMPOUND TEIJIN CHEMICALS, LTD. (JP) 2012-10-04 US disclosed
US-20120095141-A1 POLYCARBONATE RESIN COMPOSITION AND MOLDED ARTICLE THEREOF TEIJIN CHEMICALS, LTD. (JP) 2012-04-19 US disclosed
US-6300415-B1 MOLDABILITY, MOLD SHRINKAGE FACTOR ON MOLDING, RIGIDITY, FLEXIBILITY, IMPACT RESISTANCE, IN PARTICULAR LOW-TEMPERATURE IMPACT RESISTANCE, TRANSPARENCY, GLOSS, STRESS-WHITENING RESISTANCE CHISSO CORPORATION (JP) 2001-10-09 US disclosed
EP-0885926-B1 Propylene polymer blends, processes of producing the same, and polypropylene resin compositions CHISSO CORP (JP) 2001-03-21 EP disclosed
EP-1038920-A1 RESIN COMPOSITION Teijin Chemicals, Ltd. (JP) 2000-09-27 EP disclosed
EP-1022308-A1 POLYPROPYLENE COMPOSITION CHISSO CORPORATION (JP) 2000-07-26 EP disclosed
EP-1002809-A1 PROPYLENE/ETHYLENE RANDOM COPOLYMER, MOLDING MATERIAL, AND MOLDED ARTICLE CHISSO CORPORATION (JP) 2000-05-24 EP disclosed
EP-0790262-B1 PROPYLENE-ETHYLENE COPOLYMER COMPOSITIONS AND PROCESS FOR THE PRODUCTION THEREOF CHISSO CORP (JP) 2000-05-10 EP disclosed
US-6005034-A POLYMER MELTS OF ETHYLENE-PROPYLENE COPOLYMERS CHISSO CORPOATION (JP) 1999-12-21 US disclosed
EP-0885926-A2 Propylene polymer blends, processes of producing the same, and polypropylene resin compositions CHISSO CORPORATION (JP) 1998-12-23 EP disclosed
EP-0863183-A1 PROPYLENE COMPOSITION, PROCESS FOR PREPARING THE SAME, POLYPROPYLENE COMPOSITION, AND MOLDED ARTICLES CHISSO CORPORATION (JP) 1998-09-09 EP disclosed
EP-0790262-A1 PROPYLENE-ETHYLENE COPOLYMER COMPOSITIONS AND PROCESS FOR THE PRODUCTION THEREOF CHISSO CORPORATION (JP) 1997-08-20 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 (1 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-20120252941-A1 BISBENZOXAZINONE COMPOUND RPS4Y1, RPS4X, H1-4 ESR2 3150/4885GPR84 2802/4885MEN1 4533/4885

“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.