SCHEMBL17789201

SCHEMBL17789201

BrC1=CC2c3ccc(Br)cc3[C@H]2C=C1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
KDM1A O60341 4/20 0.32
EDNRB P24530 1/20 0.31
EDNRA P25101 1/20 0.31
KDM1B Q8NB78 1/20 0.30

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
SCHEMBL17792653 1.00 HTR2A (0.34) HTR2AHTR2CHTR2BOPRM1OPRD1
SCHEMBL20198331 0.81 CAMK2A (0.35) OPRM1OPRD1OPRK1EDNRBEDNRA
SCHEMBL18829648 0.74 EDNRB (0.34) EDNRBEDNRA
SCHEMBL10043585 0.68 KDM1A (0.33) HTR2AHTR2CHTR2BKDM1A
SCHEMBL6727229 0.68 S100A4 (0.41) EDNRBEDNRA
SCHEMBL13298453 0.60 METAP1 (0.45)
SCHEMBL1819784 0.58 KDM1A (0.41) HTR2AHTR2CHTR2BOPRM1OPRD1
SCHEMBL18300734 0.58 AHR (0.34) HTR2AHTR2CHTR2BKDM1AEDNRB
SCHEMBL12700844 0.58 MEN1 (0.40) HTR2B
SCHEMBL16905177 0.57 PTGDR (0.40) HTR2AHTR2CHTR2BOPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9840514-B2 Dianhydrides, polyimides, methods of making each, and methods of use KING ABDULLAH UNIVERSITY OF SCIENCE AND TECHNOLOGY (SA) 2017-12-12 US disclosed
US-20160152630-A1 DIANHYDRIDES, POLYIMIDES, METHODS OF MAKING EACH, AND METHODS OF USE KING ABDULLAH UNIVERSITY OF SCIENCE AND TECHNOLOGY (SA) 2016-06-02 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 (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-20160152630-A1 DIANHYDRIDES, POLYIMIDES, METHODS OF MAKING EACH, AND METHODS OF USE ALKBH3, ALK, DDC HTR2A 2221/4885HTR2C 2176/4885HTR2B 1899/4885

“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.