SCHEMBL6153419

SCHEMBL6153419

CC(C)(CCl)c1cc(Br)ccc1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 4/20 0.42
▸ ALDH1A1 P00352 5/20 0.38
▸ CYP2C9 P11712 3/20 0.38
▸ LMNA P02545 2/20 0.38
▸ NR1I2 O75469 1/20 0.38
▸ MIF P14174 1/20 0.38
▸ TYR P14679 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ NFE2L2 Q16236 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ PTGDR2 Q9Y5Y4 1/20 0.37
▸ CASP1 P29466 2/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ CES2 O00748 1/20 0.37
▸ GALR3 O60755 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ ERN1 O75460 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ PKM P14618 2/20 0.35

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
SCHEMBL6452950 0.83 ALOX15 (0.43) ALOX15ALDH1A1CYP2C9LMNANR1I2
SCHEMBL9446144 0.81 ALDH1A1 (0.61) ALOX15ALDH1A1CYP2C9LMNANR1I2
SCHEMBL5736125 0.80 ALOX15 (0.41) ALOX15ALDH1A1CYP2C9LMNANR1I2
SCHEMBL2437476 0.79 ALOX15 (0.44) ALOX15ALDH1A1CYP2C9LMNANR1I2
SCHEMBL396749 0.78 ALDH1A1 (0.61) ALOX15ALDH1A1CYP2C9LMNANR1I2
SCHEMBL14470144 0.78 NR3C1 (0.45) ALOX15ALDH1A1CYP2C9LMNANR1I2
SCHEMBL18512288 0.77 PTGDR2 (0.48) ALOX15ALDH1A1CYP2C9LMNANR1I2
SCHEMBL15956741 0.76 ALOX15 (0.48) ALOX15ALDH1A1CYP2C9LMNANR1I2
SCHEMBL5655096 0.75 SMN1; SMN2 (0.42) ALOX15ALDH1A1LMNAHTTHSD17B10
SCHEMBL9132565 0.75 CNR1 (0.45) —

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
WO-2014121695-A1 NOVEL XANTHINE OXIDASE INHIBITOR COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF 镇江新元素医药科技有限公司 (CN) 2014-08-14 — — WO disclosed
EP-1492776-A2 IODINATED TRIGLYCERIDE ANALOGS Fuji Photo Film Co. Ltd. (JP) 2005-01-05 — — EP disclosed
US-6720423-B2 SKIN RELATED DISEASES; PROMOTE THE EXPRESSION OF OR BIND TO RECEPTORS BELONGING TO THE STEROID OR THYROID RECEPTOR SUPERFAMILY. ALLERGAN, INC. 2004-04-13 — — US disclosed
US-20030216570-A1 Dihydrobenzofuran and dihydrobenzothiophene 2,4-pentadienoic acid derivatives having selective activity for retinoid X (RXR) receptors ALLERGAN, INC. 2003-11-20 — — US disclosed
WO-2003080554-A2 IODINATED TRIGLYCERIDE ANALOGS FUJI PHOTO FILM CO., LTD. (JP) 2003-10-02 — — 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 (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-20030216570-A1 Dihydrobenzofuran and dihydrobenzothiophene 2,4-pentadienoic acid derivatives having selective activity for retinoid X (RXR) receptors RXRB, RXRA, RXRG ALOX15 111/4885ALDH1A1 85/4885CYP2C9 1411/4885

“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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