SCHEMBL5334950

SCHEMBL5334950

COc1ccc2ccc3ccccc3c(=O)c2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.59
CYP2A6 P11509 1/20 0.59
MAPT P10636 5/20 0.58
ABCG2 Q9UNQ0 5/20 0.58
KDM4E B2RXH2 4/20 0.58
ALDH1A1 P00352 4/20 0.58
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
MAOA P21397 2/20 0.58
TDP1 Q9NUW8 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
HPGD P15428 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
CASP3 P42574 1/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 0.53
MTNR1A P48039 3/20 0.50
ABCC1 P33527 2/20 0.48
CYP17A1 P05093 1/20 0.48

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
SCHEMBL9132527 0.91 CYP1A2 (0.62) CYP1A2CYP2A6MAPTABCG2KDM4E
SCHEMBL10866515 0.84 CYP2A6 (0.68) CYP1A2CYP2A6MAPTKDM4EALDH1A1
SCHEMBL9765540 0.81 MEN1 (0.51) CYP1A2MAPTKDM4EALDH1A1NPC1
SCHEMBL17684970 0.80 CYP2A6 (0.56) CYP1A2CYP2A6MAPTABCG2KDM4E
SCHEMBL9765553 0.80 MEN1 (0.54) MAPTABCG2ALDH1A1NPC1RAB9A
SCHEMBL2316157 0.80 KDM4E (0.47) MAPTABCG2KDM4EALDH1A1NPC1
SCHEMBL4057472 0.79 MET (0.56) MAPTABCG2KDM4EALDH1A1NPC1
SCHEMBL28400048 0.79 MAOA (0.68) CYP1A2MAPTABCG2KDM4EALDH1A1
SCHEMBL9040087 0.79 CYP1A2 (0.72) CYP1A2CYP2A6MAPTABCG2KDM4E
SCHEMBL20346578 0.78 MAOA (0.71) MAPTABCG2KDM4EALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7309718-B2 Dibenzocycloheptene compound UBE INDUSTRIES, LTD. (JP) 2007-12-18 US disclosed
US-20040180884-A1 Dibenzocycloheptene compound UBE INDUSTRIES, LTD. (JP) 2004-09-16 US disclosed
EP-1408033-A1 DIBENZOCYCLOHEPTENE COMPOUND Ube Industries, Ltd. (JP) 2004-04-14 EP disclosed
EP-0272621-B1 Method for the production of 5H-dibenzo[a,d]cyclohepten-5-ones BASF Aktiengesellschaft (DE) 1991-11-27 EP disclosed
US-4845302-A Preparation of 5H-dibenzo[a,d]cyclohepten-5-ones BASF AKTIENGSELLSCHAFT (DE) 1989-07-04 US disclosed
EP-0272621-A2 Method for the production of 5H-dibenzo[a,d]cyclohepten-5-ones BASF Aktiengesellschaft (DE) 1988-06-29 EP disclosed
US-4626542-A CARDIOVASCULAR DISORDERS MERCK & CO., INC. (US) 1986-12-02 US disclosed
US-4616023-A CARDIOVASCULAR DISORDERS; CALCIUM BLOCKING AGENTS MERCK & CO., INC. (US) 1986-10-07 US disclosed
EP-0115690-A1 Dibenzocycloheptenylidenes AMERICAN HOME PRODUCTS CORPORATION (US) 1984-08-15 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-20040180884-A1 Dibenzocycloheptene compound LTB4R2, LTA4H, LTC4S CYP1A2 317/4885CYP2A6 171/4885MAPT 4409/4885

“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.