SCHEMBL2783745

SCHEMBL2783745

C(=C/c1cc2ccccc2c2ccccc12)\c1cccnc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP1A1 P04798 5/20 0.59
▸ CYP1A2 P05177 5/20 0.59
▸ CYP1B1 Q16678 5/20 0.59
▸ CYP11B1 P15538 2/20 0.56
▸ CYP11B2 P19099 1/20 0.56
▸ CYP3A4 P08684 3/20 0.51
▸ CYP2D6 P10635 3/20 0.51
▸ TDO2 P48775 4/20 0.50
▸ MEN1 O00255 1/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ IDO1 P14902 1/20 0.46
▸ ALOX5 P09917 1/20 0.45
▸ PTGS1 P23219 1/20 0.45
▸ PTGS2 P35354 1/20 0.45

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
SCHEMBL2783746 1.00 CYP1A1 (0.59) CYP1A1CYP1A2CYP1B1CYP11B1CYP11B2
SCHEMBL3170614 0.81 CYP11B1 (0.59) CYP1A1CYP1A2CYP1B1CYP11B1CYP11B2
SCHEMBL24105498 0.79 CYP11B1 (0.46) CYP1A1CYP1A2CYP1B1CYP11B1CYP11B2
SCHEMBL24105528 0.79 CYP11B1 (0.46) CYP1A1CYP1A2CYP1B1CYP11B1CYP11B2
SCHEMBL28878216 0.77 CYP11B1 (0.50) CYP1A1CYP1A2CYP1B1CYP11B1CYP11B2
SCHEMBL29691623 0.75 CYP11B1 (0.86) CYP11B1CYP11B2CYP2D6MEN1NPC1
SCHEMBL29691639 0.75 CYP11B1 (0.86) CYP11B1CYP11B2CYP2D6MEN1NPC1
SCHEMBL554004 0.75 MAOB (0.45) CYP1B1PTGS1PTGS2
SCHEMBL29961731 0.75 MAOB (0.45) CYP1B1PTGS1PTGS2
SCHEMBL554003 0.75 MAOB (0.45) CYP1B1PTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102080131-B Hairpin type DNA modified gold colloid nano particles and synthesizing method thereof UNIV ZHENGZHOU 2012-11-21 — — CN disclosed
CN-102080131-A Hairpin type DNA modified gold colloid nano particles and synthesizing method thereof UNIV ZHENGZHOU 2011-06-01 — — CN disclosed
US-20100236942-A1 METHOD FOR ELECTROCHEMICAL DETECTION OF NUCLEIC ACID SEQUENCES UNIVERSIDAD AUTONOMA DE MADRID (ES) 2010-09-23 — — US disclosed
US-20100236942-A1 METHOD FOR ELECTROCHEMICAL DETECTION OF NUCLEIC ACID SEQUENCES UNIVERSIDAD AUTONOMA DE MADRID (ES) 2010-09-23 — — US disclosed
EP-2168949-A1 METHOD FOR ELECTROCHEMICAL DETECTION OF SEQUENCES OF NUCLEIC ACIDS Universidad Autónoma de Madrid (ES) 2010-03-31 — — EP disclosed
EP-2168949-A1 METHOD FOR ELECTROCHEMICAL DETECTION OF SEQUENCES OF NUCLEIC ACIDS Universidad Autónoma de Madrid (ES) 2010-03-31 — — 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-20100236942-A1 METHOD FOR ELECTROCHEMICAL DETECTION OF NUCLEIC ACID SEQUENCES POLRMT, POLM, POLL CYP1A1 1410/4885CYP1A2 2204/4885CYP1B1 1360/4885

“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.

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