SCHEMBL7574561

SCHEMBL7574561

C(OCC1CO1)C1CO1.CC(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.58
ALDH1A1 P00352 8/20 0.58
HIF1A Q16665 5/20 0.58
HPGD P15428 3/20 0.58
ALOX15 P16050 3/20 0.58
HSD17B10 Q99714 3/20 0.58
ALOX12 P18054 2/20 0.58
CYP3A4 P08684 2/20 0.58
TDP1 Q9NUW8 2/20 0.58
CASP1 P29466 1/20 0.58
RECQL P46063 1/20 0.58
CHEK1 O14757 1/20 0.46
DAPK3 O43293 1/20 0.46
RET P07949 1/20 0.46
PDGFRB P09619 1/20 0.46
PIM1 P11309 1/20 0.46
PDGFRA P16234 1/20 0.46
KDR P35968 1/20 0.46
MAPK8 P45983 1/20 0.46
RPS6KA3 P51812 1/20 0.46

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
SCHEMBL12643938 0.87 TSHR (0.53) TSHRALDH1A1HIF1AHPGDALOX15
SCHEMBL943782 0.87 TSHR (0.53) TSHRALDH1A1HIF1AHPGDALOX15
SCHEMBL21097463 0.86 ALDH1A1 (0.49) TSHRALDH1A1HIF1AHPGDALOX15
SCHEMBL4330787 0.83 TSHR (0.59) TSHRALDH1A1HIF1AHPGDALOX15
SCHEMBL9053991 0.82 TSHR (0.50) TSHRALDH1A1HIF1AHPGDALOX15
SCHEMBL10696501 0.82 ALDH1A1 (0.45) TSHRALDH1A1HIF1AHPGDALOX15
SCHEMBL1104781 0.78 ALDH1A1 (0.55) TSHRALDH1A1HIF1AHPGDALOX15
SCHEMBL27924079 0.78 SMN1; SMN2 (0.40) TSHRALDH1A1HIF1AHSD17B10CYP3A4
SCHEMBL234097 0.77 ALDH1A1 (0.36) TSHRALDH1A1HIF1ACYP3A4TDP1
SCHEMBL16655607 0.76 TSHR (0.61) TSHRALDH1A1HIF1AHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5357027-A Fireproof, heat resistant, impact resistant molding materials IDEMITSU PETROCHEMICAL CO., LTD. (JP) 1994-10-18 US claimed
US-20170137564-A1 NOVEL INCLUSION COMPOUND NIPPON SODA CO., LTD. (JP) 2017-05-18 US disclosed
EP-2980064-A1 NOVEL INCLUSION COMPOUND Nippon Soda Co., Ltd. (JP) 2016-02-03 EP disclosed
US-20160017088-A1 NOVEL INCLUSION COMPOUND NIPPON SODA CO., LTD. (JP) 2016-01-21 US disclosed
EP-0635528-B1 Epoxy-modified polyamide resin HITACHI CHEMICAL CO LTD (JP) 2002-09-18 EP disclosed
US-5874518-A Epoxy-modified polyamide resin HITACHI CHEMICAL COMPANY, LTD. (JP) 1999-02-23 US disclosed
US-5451632-A Polycarbonate-polyorganosiloxane copolymer and a resin composition IDEMITSU PETROCHEMICAL CO., LTD. (JP) 1995-09-19 US disclosed
EP-0635528-A2 Epoxy-modified polyamide resin Hitachi Chemical Co., Ltd. (JP) 1995-01-25 EP disclosed
US-5357027-A Fireproof, heat resistant, impact resistant molding materials IDEMITSU PETROCHEMICAL CO., LTD. (JP) 1994-10-18 US disclosed
EP-0595141-A1 A polycarbonate-polyorganosiloxane copolymer and a resin composition IDEMITSU PETROCHEMICAL CO., LTD. (JP) 1994-05-04 EP disclosed
US-5185425-A Flame retardance; impact resistance; thermostability at molding; appliances; construction materials IDEMITSU PETROCHEMICAL CO., LTD. (JP) 1993-02-09 US disclosed
US-3957905-A HALOGENATED BISPHENYL COMPOUND, ANTIMONY COMPOUND TOYO BOSEKI KABUSHIKI KAISHA (JA) 1976-05-18 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 (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-20160017088-A1 NOVEL INCLUSION COMPOUND SEM1, C9, EIF4A1 TSHR 4677/4885ALDH1A1 440/4885HIF1A 89/4885

“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.