SCHEMBL8935104

SCHEMBL8935104

COC(=O)Cc1ccc2cc(C)ccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
GAA P10253 1/20 0.53
GFER P55789 1/20 0.53
PTGS1 P23219 1/20 0.50
AKR1C3 P42330 1/20 0.50
AKR1C2 P52895 1/20 0.50
CYP4F2 P78329 1/20 0.50
CYP4A11 Q02928 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
HSP90AB1 P08238 1/20 0.49
ABL1 P00519 1/20 0.47
RIN1 Q13671 1/20 0.47
HPGD P15428 2/20 0.46
TSHR P16473 2/20 0.46
MAPT P10636 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2A6 P11509 1/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45

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
SCHEMBL11469397 0.95 ALDH1A1 (0.51) ALDH1A1GAAGFERPTGS1AKR1C3
SCHEMBL21620954 0.91 ALDH1A1 (0.61) ALDH1A1GAAGFERPTGS1AKR1C3
SCHEMBL7419945 0.85 MAOB (0.49) ALDH1A1PTGS1AKR1C3AKR1C2L3MBTL1
SCHEMBL31170867 0.84 MEN1 (0.57) ALDH1A1GAAGFERPTGS1AKR1C3
SCHEMBL21451484 0.84 CYP11B1 (0.59) ALDH1A1GAAGFERPTGS1AKR1C3
SCHEMBL12419939 0.84 ALDH1A1 (0.54) ALDH1A1GAAGFERPTGS1AKR1C3
SCHEMBL2662328 0.84 MEN1 (0.57) ALDH1A1GAAGFERPTGS1AKR1C3
SCHEMBL8980665 0.83 ALDH1A1 (0.53) ALDH1A1GAAGFERPTGS1AKR1C3
SCHEMBL1448732 0.83 PTGS1 (0.73) ALDH1A1GAAGFERPTGS1AKR1C3
SCHEMBL7801633 0.83 HSP90AB1 (0.58) ALDH1A1GAAGFERPTGS1AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 US disclosed
US-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 US disclosed
US-8188277-B2 Aromatic compounds for suppressing the generation of collagen OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-05-29 US disclosed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 US disclosed
WO-2007066784-A2 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-06-14 WO disclosed
US-20070089248-A1 Cosmetic formulations comprising diketo-pyrrolo pyrrole pigments WALLQUIST OLOF 2007-04-26 US disclosed
US-4207241-A ANALGESICS, ANTIPYRETICS, ANTIINFLAMMATORY AGENTS AND ANTIPRURITIC AGENTS SYNTEX CORPORATION (US) 1980-06-10 US disclosed
US-4097674-A ANTIINFLAMMATORY, ANTIPYRETIC, ANTIPRURITIC AGENTS, ANALGESICS SYNTEX CORPORATION (US) 1978-06-27 US disclosed
US-4051233-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC, ANTIPRURITIC SYNTEX CORPORATION (US) 1977-09-27 US disclosed
US-4048330-A Compositions containing 2-(6'-substituted-2'-naphthyl)acetic acid esters used for treating inflammation, pain or pyrexia SYNTEX CORPORATION (US) 1977-09-13 US disclosed
US-4009197-A 2-(6-Substituted-2'-naphthyl) acetic acid derivatives and the salts and esters thereof SYNTEX CORPORATION (PM) 1977-02-22 US disclosed
US-4001301-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIPYRETICS, ANTI-PRURITIC SYNTEX CORPORATION (PM) 1977-01-04 US disclosed
US-3998966-A Anti-inflammatory, analgesic, anti-pyretic and anti-pruritic 6-substituted 2-naphthyl acetic acid derivative-containing compositions and methods of use thereof SYNTEX CORPORATION (PM) 1976-12-21 US disclosed
US-3980699-A ANTIINFLAMMATORY, ANALGESICS, ANTIPYRETIC, ANTIPRURITIC SYNTEX CORPORATION (PM) 1976-09-14 US disclosed
US-3978116-A ANALGESIC, ANTIPYRETIC SYNTEX CORPORATION (PM) 1976-08-31 US disclosed
US-3978124-A ANALGESIC, ANTIPYRETIC SYNTEX CORPORATION (PM) 1976-08-31 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 (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-20120238750-A1 AROMATIC COMPOUND CBR1, CBR3, CYP1A1 ALDH1A1 565/4885GAA 4225/4885GFER 1154/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 ALDH1A1 265/4885GAA 3133/4885GFER 1218/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 ALDH1A1 475/4885GAA 3249/4885GFER 1026/4885
US-20070089248-A1 Cosmetic formulations comprising diketo-pyrrolo pyrrole pigments TYR, LAGE3, KRT18 ALDH1A1 1545/4885GAA 591/4885GFER 3667/4885

“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.