SCHEMBL979409

SCHEMBL979409

O=C(C=Cc1cccnc1)c1ccccc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 11/20 0.83
CYP1A1 P04798 10/20 0.83
CYP1A2 P05177 10/20 0.83
CYP3A4 P08684 5/20 0.82
CYP2D6 P10635 5/20 0.82
PFKFB3 Q16875 1/20 0.82
RAB9A P51151 3/20 0.77
MAPT P10636 3/20 0.77
KMT2A Q03164 1/20 0.77
USP2 O75604 1/20 0.71
NPC1 O15118 2/20 0.69
PLIN1 O60240 1/20 0.68
LMNA P02545 1/20 0.68
BCHE P06276 1/20 0.68
TNFRSF1A P19438 1/20 0.68
ACHE P22303 1/20 0.68
MAOB P27338 1/20 0.68
RECQL P46063 1/20 0.68
PLIN5 Q00G26 1/20 0.68
ABHD5 Q8WTS1 1/20 0.68

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
SCHEMBL7368933 1.00 CYP1B1 (0.83) CYP1B1CYP1A1CYP1A2CYP3A4CYP2D6
SCHEMBL13479662 0.93 RAB9A (0.88) CYP1B1CYP1A1CYP1A2CYP3A4CYP2D6
SCHEMBL17233302 0.91 CYP1A1 (1.00) CYP1B1CYP1A1CYP1A2CYP3A4CYP2D6
SCHEMBL196639 0.90 PFKFB3 (1.00) CYP1B1CYP1A1CYP1A2CYP3A4CYP2D6
SCHEMBL29458617 0.90 PFKFB3 (1.00) CYP1B1CYP1A1CYP1A2CYP3A4CYP2D6
SCHEMBL9503680 0.90 CYP1B1 (1.00) CYP1B1CYP1A1CYP1A2CYP3A4CYP2D6
SCHEMBL979408 0.90 CYP1B1 (1.00) CYP1B1CYP1A1CYP1A2CYP3A4CYP2D6
SCHEMBL196640 0.90 PFKFB3 (1.00) CYP1B1CYP1A1CYP1A2CYP3A4CYP2D6
SCHEMBL1604140 0.87 RAB9A (1.00) CYP1B1CYP1A1CYP1A2CYP3A4CYP2D6
SCHEMBL29600034 0.87 RAB9A (1.00) CYP1B1CYP1A1CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-54110294-A None JP disclosed
US-7872029-B2 Chalcone and its analogs as agents for the inhibition of angiogenesis and related disease states BOWEN J PHILLIP 2011-01-18 US disclosed
US-20090018167-A1 Chalcone and its analogs as agents for the inhibition of angiogenesis and related disease states Robinson, Thomas Philip (US) 2009-01-15 US disclosed
US-7432303-B2 Chalcone and its analogs as agents for the inhibition of angiogenesis and related disease states Bowen, J. Phillip (US) 2008-10-07 US disclosed
US-20050148599-A1 Chalcone and its analogs as agents for the inhibition of angiogenesis and related disease states UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. 2005-07-07 US disclosed
US-6906105-B2 Chalcone and its analogs as agents for the inhibition of angiogenesis and related disease states BOWEN J PHILLIP (US) 2005-06-14 US disclosed
US-20030027830-A1 Chalcone and its analogs as agents for the inhibition of angiogenesis and related disease states UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. 2003-02-06 US disclosed
US-6462075-B1 USE OF CHALCONE AND ITS DERIVATIVES AS ANTITUMOR/ANTICANCER AGENTS AND TO TREAT A NUMBER OF CONDITIONS OR DISEASE STATES IN WHICH ANGIOGENESIS IS A FACTOR INCLUDING PSORIASIS, ACNE, ROSACEA, WARTS, ECZEMA, HEMANGIOMAS AND LYMPHANGIOGENESIS THE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. 2002-10-08 US disclosed
US-20020040029-A1 Chalcone and its analogs as agents for the inhibition of angiogenesis and related disease states BOWEN, J. PHILLIP 2002-04-04 US disclosed
WO-1993019047-A1 TETRAHIDROPYRIDINYL (3/4) SUBSTITUED OXIMES HAVING SIGMA RECEPTOR AFFINITY AND THEIR USE IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM CONDITIONS WARNER-LAMBERT COMPANY (US) 1993-09-30 WO disclosed
US-5208343-A Antidepressants, antiinflammatory WARNER-LAMBERT COMPANY (US) 1993-05-04 US disclosed
JP-S54110294-A NEW PHOTO-CROSSLINKABLE POLYMERIC COMPOUND AND ITS PREPARATION AGENCY OF IND SCIENCE & TECHNOL 1979-08-29 JP disclosed
US-3991197-A ANALGESICS HOFFMANN-LA ROCHE INC. (US) 1976-11-09 US disclosed
US-3989708-A HYPOTENSIVE, CORONARY VESSEL DILATORS BAYER AKTIENGESELLSCHAFT (DT) 1976-11-02 US 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 (4 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-20020040029-A1 Chalcone and its analogs as agents for the inhibition of angiogenesis and related disease states FLT1, FLT4, VEGFA CYP1B1 780/4885CYP1A1 656/4885CYP1A2 795/4885
US-20090018167-A1 Chalcone and its analogs as agents for the inhibition of angiogenesis and related disease states FLT1, FLT4, VEGFA CYP1B1 747/4885CYP1A1 649/4885CYP1A2 792/4885
US-20030027830-A1 Chalcone and its analogs as agents for the inhibition of angiogenesis and related disease states FLT1, VEGFA, FLT4 CYP1B1 604/4885CYP1A1 625/4885CYP1A2 655/4885
US-20050148599-A1 Chalcone and its analogs as agents for the inhibition of angiogenesis and related disease states FLT1, VEGFA, FLT4 CYP1B1 604/4885CYP1A1 625/4885CYP1A2 655/4885

“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.