SCHEMBL97638

SCHEMBL97638

O=[C]c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 8/20 0.57
TSHR P16473 1/20 0.57
NR1H2 P55055 1/20 0.50
BAX Q07812 1/20 0.50
MAOA P21397 1/20 0.50
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
GSTP1 P09211 1/20 0.47
SOS1 Q07889 1/20 0.47
CA9 Q16790 1/20 0.47
PARP10 Q53GL7 1/20 0.47
PLA2G2A P14555 1/20 0.47
SRD5A2 P31213 1/20 0.45
FFAR1 O14842 1/20 0.45
MGLL Q99685 1/20 0.44

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
SCHEMBL888019 1.00 LTA4H (0.57) LTA4HTSHRNR1H2BAXMAOA
SCHEMBL9422169 0.90 PARP15 (0.42) LTA4HTSHRNR1H2BAXMAOA
SCHEMBL9654773 0.90 PARP15 (0.42) LTA4HTSHRNR1H2BAXMAOA
SCHEMBL3085615 0.89 FFAR1 (0.52) LTA4HTSHRNR1H2BAXMAOA
SCHEMBL21925450 0.87 SRD5A2 (0.68) PARP10SRD5A2
SCHEMBL9422165 0.86 ALDH1A1 (0.54) LTA4HTSHRGSTP1PARP10FFAR1
SCHEMBL3079739 0.84 RELA (0.50) SRD5A2
SCHEMBL3079740 0.84 RELA (0.50) SRD5A2
SCHEMBL3080310 0.82 MAOB (0.61) MAOACA1CA2GSTP1CA9
SCHEMBL11592340 0.82 LTA4H (0.52) LTA4HTSHRNR1H2BAXMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116789763-A Permeable membrane polypeptide and application thereof in resisting colon cancer 上海交通大学医学院 2023-09-22 CN claimed
CN-116731107-A Membrane penetrating cyclic peptide and application thereof 宁夏医科大学 2023-09-12 CN claimed
US-20070203138-A1 Novel Compounds and Compositions as Cathepsin S Inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-08-30 US claimed
US-20070135386-A1 Novel Compounds and Compositions as Cathepsin Inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-06-14 US claimed
US-7226921-B2 Compounds and compositions as cathepsin S inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-06-05 US claimed
US-7196099-B2 Compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-03-27 US claimed
US-6977256-B2 Compounds and compositions as cathepsin S inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2005-12-20 US claimed
US-20050267044-A1 Novel compounds and compositions as cathepsin S inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2005-12-01 US claimed
US-6900237-B2 Sulfonamide compounds as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-05-31 US claimed
US-20040192742-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. 2004-09-30 US claimed
EP-0262919-B1 PREPARATION OF ARYL CARBONYL COMPOUNDS RAYCHEM LIMITED (GB) 1991-09-11 EP claimed
EP-0124276-B1 PREPARATION OF AROMATIC POLYMERS RAYCHEM CORPORATION (a Delaware corporation) (US) 1989-03-22 EP claimed
EP-0069597-B1 PREPARING P-PHENOXY-BENZOYL COMPOUNDS RAYCHEM CORPORATION (a California corporation) (US) 1984-10-10 EP claimed
US-4474990-A Preparing p-phenoxy benzoyl compounds RAYCHEM CORPORATION (US) 1984-10-02 US claimed
EP-0060943-B1 PARAPHENOXYBENZOTRICHLORIDE, ITS PREPARATION AND USE OCCIDENTAL CHEMICAL CORPORATION (US) 1984-06-13 EP claimed
EP-0069597-A1 Preparing p-phenoxy-benzoyl compounds RAYCHEM CORPORATION (a California corporation) (US) 1983-01-12 EP claimed
US-4308161-A FOR UPGRADING BLACK COLOR OF BLACK LIQUID CRYSTAL DISPLAYS GENERAL ELECTRIC COMPANY (US) 1981-12-29 US claimed
US-4308164-A Novel yellow azo dyes and dichroic liquid crystal composition made therewith GENERAL ELECTRIC COMPANY (US) 1981-12-29 US claimed
US-4308163-A IMPROVING BLACK COLOR OF DICHROIC DYES GENERAL ELECTRIC COMPANY (US) 1981-12-29 US claimed
US-4198205-A SULFONIC ACID-FREE DISPERSE DYES BASF AKTIENGESELLSCHAFT (DE) 1980-04-15 US claimed

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-20050267044-A1 Novel compounds and compositions as cathepsin S inhibitors CTSS, CTSB, CTSE LTA4H 919/4885TSHR 4383/4885NR1H2 2799/4885
US-20070203138-A1 Novel Compounds and Compositions as Cathepsin S Inhibitors CTSS, CTSB, CTSE LTA4H 919/4885TSHR 4383/4885NR1H2 2799/4885
US-20040192742-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE LTA4H 736/4885TSHR 4285/4885NR1H2 2824/4885
US-20070135386-A1 Novel Compounds and Compositions as Cathepsin Inhibitors CTSS, CTSB, CTSE LTA4H 736/4885TSHR 4285/4885NR1H2 2824/4885

“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.