SCHEMBL7817693

SCHEMBL7817693

Cc1ccc(C)c2c1CC(C)O2

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOA P21397 9/20 0.50
MAOB P27338 3/20 0.50
POLL Q9UGP5 1/20 0.47
BRD4 O60885 1/20 0.45
CREBBP Q92793 1/20 0.45
PARP1 P09874 4/20 0.41
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 2/20 0.40
HPGD P15428 2/20 0.40
TSHR P16473 2/20 0.39
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL18181606 1.00 MAOA (0.50) MAOAMAOBPOLLBRD4CREBBP
SCHEMBL10831325 0.84 PARP1 (0.51) MAOAMAOBPOLLBRD4CREBBP
SCHEMBL11126847 0.80 MAOA (0.42) MAOAMAOBPOLLBRD4CREBBP
SCHEMBL10831772 0.80 MAOA (0.42) MAOAMAOBPOLLBRD4CREBBP
SCHEMBL10830897 0.77 MAOA (0.49) MAOAMAOBPOLLBRD4CREBBP
SCHEMBL657712 0.72 MAOA (0.45) MAOAMAOBBRD4CREBBPPARP1
SCHEMBL9781320 0.71 MAOA (0.38) MAOAMAOBPOLLBRD4CREBBP
SCHEMBL10831092 0.71 POLL (0.42) MAOAMAOBPOLLPARP1KDM4E
SCHEMBL8458877 0.71 MAOA (0.48) MAOAMAOBPOLLBRD4CREBBP
SCHEMBL13074639 0.71 PARP1 (0.56) MAOAMAOBPOLLBRD4CREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3287463-A1 CONDENSED-RING PYRIMIDYLAMINO DERIVATIVE, PREPARATION METHOD THEREFOR, AND INTERMEDIATE, PHARMACEUTICAL COMPOSITION AND APPLICATIONS THEREOF Guangzhou Maxinovel Pharmaceuticals Co., Ltd. (CN) 2018-02-28 EP disclosed
US-20170362508-A1 POLYMERIZABLE COMPOUND AND OPTICALLY ANISOTROPIC BODY DIC CORPORATION (JP) 2017-12-21 US disclosed
US-20170362508-A1 POLYMERIZABLE COMPOUND AND OPTICALLY ANISOTROPIC BODY DIC CORPORATION (JP) 2017-12-21 US disclosed
WO-2016169504-A1 CONDENSED-RING PYRIMIDYLAMINO DERIVATIVE, PREPARATION METHOD THEREFOR, AND INTERMEDIATE, PHARMACEUTICAL COMPOSITION AND APPLICATIONS THEREOF 广州再极医药科技有限公司 2016-10-27 WO disclosed
EP-0704067-B1 PHOTOCHROMIC NAPHTHOPYRAN COMPOUNDS PPG IND OHIO INC (US) 2001-08-01 EP disclosed
EP-0901485-A1 1,2-BENZOXATHIIN AND THIEPIN 2,2-DIOXIDE HERBICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1999-03-17 EP disclosed
WO-1997042185-A1 1,2-BENZOXATHIIN AND THIEPIN 2,2-DIOXIDE HERBICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-11-13 WO disclosed
EP-0704067-A1 PHOTOCHROMIC NAPHTHOPYRAN COMPOUNDS PPG INDUSTRIES, INC. (US) 1996-04-03 EP disclosed
EP-0704067-A4 PHOTOCHROMIC NAPHTHOPYRAN COMPOUNDS PPG INDUSTRIES INC (US) 1996-02-02 EP disclosed
US-5458815-A Photochromic naphthopyran compounds TRANSITIONS OPTICAL, INC. (US) 1995-10-17 US disclosed
US-5384077-A Naphthopyrans TRANSITIONS OPTICAL, INC. (US) 1995-01-24 US disclosed
WO-1995000866-A1 PHOTOCHROMIC NAPHTHOPYRAN COMPOUNDS PPG INDUSTRIES, INC. (US) 1995-01-05 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-20170362508-A1 POLYMERIZABLE COMPOUND AND OPTICALLY ANISOTROPIC BODY PBDC1, RCC1, PUF60 MAOA 1396/4885MAOB 1669/4885POLL 543/4885

“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.