SCHEMBL1618364

SCHEMBL1618364

O=Cc1ccc(CC2CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.39
CYP2A6 P11509 2/20 0.39
HSD17B10 Q99714 1/20 0.39
ALDH5A1 P51649 1/20 0.39
ABAT P80404 1/20 0.39
ALDH1A1 P00352 3/20 0.38
LMNA P02545 3/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH3A1 P30838 1/20 0.38
ALDH1A3 P47895 1/20 0.38
GAA P10253 1/20 0.37
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 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
SCHEMBL9950203 0.91 ALDH1A1 (0.40) GBA1CYP2A6ALDH1A1LMNAMAPT
SCHEMBL9950036 0.91 CYP2A6 (0.38) GBA1CYP2A6ALDH1A1LMNAMAPT
SCHEMBL9951023 0.90 HDAC6 (0.43) GBA1ALDH1A1SMN1; SMN2TRIM24TRIM33
SCHEMBL9950212 0.88 ALDH1A1 (0.38) CYP2A6ALDH1A1LMNAMAPTHPGD
SCHEMBL24622329 0.84 ALDH1A1 (0.49) ALDH1A1LMNAMAPTGAAKDM4E
SCHEMBL31378281 0.82 ALDH1A1 (0.37) CYP2A6HSD17B10ALDH5A1ABATALDH1A1
SCHEMBL16762080 0.79 GPR84 (0.42) CYP2A6HSD17B10ALDH5A1ABATALDH1A1
SCHEMBL9949974 0.79 ALDH1A1 (0.37) CYP2A6HSD17B10ALDH1A1LMNAMAPT
SCHEMBL9950823 0.79 CYP2A6 (0.34) CYP2A6HSD17B10ALDH5A1ABATALDH1A1
SCHEMBL9950018 0.76 ALDH1A1 (0.36) CYP2A6ALDH1A1LMNAMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2246338-B1 NOVEL CATECHOL DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, USE OF THE CATECHOL DERIVATIVE, AND USE OF THE PHARMACEUTICAL COMPOSITION KISSEI PHARMACEUTICAL (JP) 2013-11-20 EP disclosed
US-7923462-B2 Catechol derivative, pharmaceutical composition containing the same, use of the catechol derivative, and use of the pharmaceutical composition KISSEI PHARMACEUTICAL CO., LTD. (JP) 2011-04-12 US disclosed
US-20100280083-A1 NOVEL CATECHOL DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, USE OF THE CATECHOL DERIVATIVE, AND USE OF THE PHARMACEUTICAL COMPOSITION KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-11-04 US disclosed
EP-2246338-A1 NOVEL CATECHOL DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, USE OF THE CATECHOL DERIVATIVE, AND USE OF THE PHARMACEUTICAL COMPOSITION Kissei Pharmaceutical Co., Ltd. (JP) 2010-11-03 EP disclosed
EP-0519353-B1 Indolizin derivatives, process for their preparation and pharmaceutical composition containing them FUJISAWA PHARMACEUTICAL CO (JP) 2000-08-16 EP disclosed
CN-1042226-C Heterocyclic derivatives FUJISAWA PHARMACEUTICAL CO (JP) 1999-02-24 CN disclosed
WO-1994026710-A1 INDOLE DERIVATIVES AS TESTOSTERONE 5α-REDUCTASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-11-24 WO disclosed
US-5334716-A Preventing testosteron 5a-reductase mediated diseases; alopecia, acne, prostatism FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-08-02 US disclosed
CN-1067893-A Hete rocyclic derivatives FUJISAWA PHARMACEUTICAL CO (JP) 1993-01-13 CN disclosed
EP-0519353-A2 Indolizin derivatives, process for their preparation and pharmaceutical composition containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-12-23 EP 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-20100280083-A1 NOVEL CATECHOL DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, USE OF THE CATECHOL DERIVATIVE, AND USE OF THE PHARMACEUTICAL COMPOSITION COMT, CYP2D6, CYP3A43 GBA1 1333/4885CYP2A6 25/4885HSD17B10 90/4885

“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.