SCHEMBL6452950

SCHEMBL6452950

CCC(C)(C)c1cc(Br)ccc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ NR1I2 O75469 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MIF P14174 1/20 0.39
▸ TYR P14679 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ NFE2L2 Q16236 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ CASP1 P29466 2/20 0.38
▸ CES2 O00748 1/20 0.38
▸ GALR3 O60755 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ PTGDR2 Q9Y5Y4 1/20 0.38
▸ ESR1 P03372 6/20 0.37
▸ ESR2 Q92731 4/20 0.37
▸ AR P10275 2/20 0.37

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
SCHEMBL22140388 0.85 ALOX15 (0.39) ALOX15ALDH1A1CYP2C9CASP1CES2
SCHEMBL6153419 0.83 ALOX15 (0.42) ALOX15ALDH1A1CYP2C9NR1I2LMNA
SCHEMBL5736125 0.81 ALOX15 (0.41) ALOX15ALDH1A1CYP2C9NR1I2LMNA
SCHEMBL30026979 0.80 ALDH1A1 (0.63) ALOX15ALDH1A1CYP2C9NR1I2LMNA
SCHEMBL133971 0.80 ALDH1A1 (0.63) ALOX15ALDH1A1CYP2C9NR1I2LMNA
SCHEMBL9132565 0.80 CNR1 (0.45) —
SCHEMBL396749 0.79 ALDH1A1 (0.61) ALOX15ALDH1A1CYP2C9NR1I2LMNA
SCHEMBL18512288 0.79 PTGDR2 (0.48) ALOX15ALDH1A1CYP2C9NR1I2LMNA
SCHEMBL80891 0.78 MAPK1 (0.48) ALOX15ALDH1A1CYP2C9NR1I2LMNA
SCHEMBL29481306 0.78 MAPK1 (0.48) ALOX15ALDH1A1CYP2C9NR1I2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050014767-A1 Benzoxazole, benzothiazole, and benzimidazole derivatives for the treatment of cancer and other diseases INCYTE CORPORATION 2005-01-20 — — US disclosed
EP-1463718-A1 2-SUBSTITUTED THIAZOLIDINONE AND OXAZOLIDINONE DERIVATIVES FOR THE INHIBITION OF PHOSPHATASES AND THE TREATMENT OF CANCER Incyte San Diego Incorporated (US) 2004-10-06 — — EP disclosed
WO-2004066952-A2 BENZOXAZOLE, BENZOTHIAZOLE, AND BENZIMIDAZOLE DERIVATIVES FOR THE TREATMENT OF CANCER AND OTHER DISEASES INCYTE CORPORATION (US) 2004-08-12 — — WO disclosed
US-20040097566-A1 2-Substituted thiazolidinone and oxazolidinone derivatives for the inhibition of phosphatases and the treatment of cancer INCYTE SAN DIEGO INCORPORATED 2004-05-20 — — US disclosed
WO-2003050098-A1 2-SUBSTITUTED THIAZOLIDINONE AND OXAZOLIDINONE DERIVATIVES FOR THE INHIBITION OF PHOSPHATASES AND THE TREATMENT OF CANCER INCYTE SAN DIEGO INCORPORATED (US) 2003-06-19 — — WO 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-20050014767-A1 Benzoxazole, benzothiazole, and benzimidazole derivatives for the treatment of cancer and other diseases AR, CCNT1, BRD1 ALOX15 1251/4885ALDH1A1 15/4885CYP2C9 237/4885
US-20040097566-A1 2-Substituted thiazolidinone and oxazolidinone derivatives for the inhibition of phosphatases and the treatment of cancer PTPA, PTPRC, PTPRCAP ALOX15 2184/4885ALDH1A1 423/4885CYP2C9 2919/4885

“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.

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