SCHEMBL8488782

SCHEMBL8488782

COc1c(C=O)ccc2c1OCO2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.51
HPGD P15428 1/20 0.51
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
ERN1 O75460 1/20 0.45
POLB P06746 2/20 0.43
CYP19A1 P11511 1/20 0.41
NQO2 P16083 1/20 0.41
ALDH1A1 P00352 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 1/20 0.39
TARBP2 Q15633 1/20 0.39
KMT2A Q03164 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
GSK3B P49841 2/20 0.37
MEN1 O00255 1/20 0.37
ATR Q13535 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
SCHEMBL15811557 0.83 TDP1 (0.41) LMNAHPGDCA1CA2ERN1
SCHEMBL10430712 0.82 POLB (0.42) LMNAHPGDERN1POLBCYP19A1
SCHEMBL10430946 0.82 POLB (0.42) LMNAHPGDERN1POLBCYP19A1
SCHEMBL30433465 0.81 LMNA (0.58) LMNAHPGDERN1POLBALDH1A1
SCHEMBL7822146 0.81 KDM4E (0.47) LMNAHPGDPOLBALDH1A1TDP1
SCHEMBL24986410 0.77 POLB (0.44) LMNAHPGDPOLBCYP19A1NQO2
SCHEMBL3360383 0.77 POLB (0.50) LMNAHPGDPOLBCYP19A1NQO2
SCHEMBL2232816 0.77 ALDH1A1 (0.45) LMNAHPGDERN1CYP19A1NQO2
SCHEMBL10430779 0.77 POLB (0.43) POLBCYP19A1NQO2TARBP2KMT2A
SCHEMBL10620315 0.76 POLB (0.39) LMNAHPGDPOLBALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-62084079-A None JP disclosed
JP-62096486-A None JP disclosed
JP-62061974-A None JP disclosed
US-10227356-B2 Compounds, compositions and methods for inhibiting CNKSR1 PHUSIS THERAPEUTICS, INC. (US) 2019-03-12 US disclosed
US-20160304533-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR INHIBITING CNKSR1 PHUSIS THERAPEUTICS, INC. (US) 2016-10-20 US disclosed
US-5889018-A ADMINISTERING TO THE PATIENT SUFFERING FROM ANXIETY A 1-STYRYLISOQUINOLINE COMPOUND AS AN ANXIOLYTIC AGENT EGIS GYOGYSZERGYAR RT. (HU) 1999-03-30 US disclosed
EP-0680953-A1 1-[Styryl]- and 1-[2'-(heteroaryl)-ethenyl]-isoquinoline derivatives, a process for preparing them as well as medicaments containing them and the use of them EGIS GYOGYSZERGYAR RT. (HU) 1995-11-08 EP disclosed
EP-0404694-A2 4-hydroxy-8-methoxy-2-methyl-6, 7-methylenedioxy-1,2,3,4-tetrahydroisoquinoline, and process for preparing the same MITSUBISHI KASEI CORPORATION (JP) 1990-12-27 EP disclosed
US-4963684-A OXIDATION AMINO GROUP OF A TETRAHYDROISOQUINOLINE COMPOUND; HYDROLYSIS MITSUBISHI KASEI CORPORATION (JP) 1990-10-16 US disclosed
EP-0387156-A2 A process for preparing cotarnine MITSUBISHI KASEI CORPORATION (JP) 1990-09-12 EP disclosed
EP-0285267-A2 Pyridine derivatives for treatment and prevention of liver damage, and their preparation YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1988-10-05 EP disclosed
US-4769480-A Benzylamine derivative MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JP) 1988-09-06 US disclosed
US-4760145-A Certain 6,7-methylene dioxydihydro or tetrahydro-isoquinoline derivatives MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JP) 1988-07-26 US disclosed
EP-0232199-A2 Aromatic benzamido compounds, process for their preparation and their use in human or veterinary medicine as well as in cosmetics CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA - CIRD GALDERMA (FR) 1987-08-12 EP disclosed
JP-S6296486-A SEPARATION OF BENZALDEHYDE DERIVATIVE MITSUBISHI CHEM IND LTD 1987-05-02 JP disclosed
JP-S6284079-A PRODUCTION OF 2,3-METHYLENEDIOXYANISOLE MITSUBISHI CHEM IND LTD 1987-04-17 JP disclosed
EP-0216696-A2 Process for preparing cotarnine MITSUBISHI KASEI CORPORATION (JP) 1987-04-01 EP disclosed
JP-S6261974-A METHOD OF PURIFYING 2-METHOXY-3,4-METHYLENEDIOXYBENZALDEHYDE MITSUBISHI CHEM IND LTD 1987-03-18 JP disclosed
EP-0214905-A2 Tetrahydroisoquinoline derivatives MITSUBISHI KASEI CORPORATION (JP) 1987-03-18 EP disclosed
EP-0214051-A2 Benzylamine derivative MITSUBISHI KASEI CORPORATION (JP) 1987-03-11 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 (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-10227356-B2 Compounds, compositions and methods for inhibiting CNKSR1 CNKSR1, CAMKK1, CNR1 LMNA 1703/4885HPGD 3849/4885CA1 4118/4885
US-20160304533-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR INHIBITING CNKSR1 CNKSR1, CAMKK1, CNR1 LMNA 1703/4885HPGD 3849/4885CA1 4118/4885

“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.