SCHEMBL270835

SCHEMBL270835

c1ccc(C(n2cccc2)n2cccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.40
DPP4 P27487 2/20 0.39
TSHR P16473 2/20 0.39
F2 P00734 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HTR2A P28223 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
CYP2D6 P10635 4/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
KCNA5 P22460 2/20 0.36
CYP2C19 P33261 2/20 0.36
KCNH2 Q12809 2/20 0.36
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL14322129 0.88 HSD17B10 (0.35) NPSR1HSD17B10MAPT
SCHEMBL4880953 0.78 CYP19A1 (0.56) CYP19A1DPP4TSHRF2NPSR1
SCHEMBL27957226 0.77 CYP19A1 (0.42) CYP19A1HTR2ACYP1A2
SCHEMBL7009772 0.74 CYP2D6 (0.54) NPSR1HSD17B10HTR2ATAAR1CYP2D6
SCHEMBL12770874 0.74 CYP2D6 (0.54) NPSR1HSD17B10HTR2ATAAR1CYP2D6
SCHEMBL12770872 0.74 CYP2D6 (0.54) NPSR1HSD17B10HTR2ATAAR1CYP2D6
SCHEMBL946807 0.74 TSHR (0.48) CYP19A1DPP4TSHRF2NPSR1
SCHEMBL8026290 0.74 TSHR (0.41) CYP19A1TSHRNPSR1HSD17B10CYP2D6
Hydrochloric Acid SCHEMBL27915645 0.72 DPP4 (0.46) DPP4F2HTR2ATAAR1
SCHEMBL11368289 0.69 CYP17A1 (0.62) CYP19A1NPSR1HTR2ACYP3A4KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103003282-B A kind of prepare new derivatives of porphyrin method and purposes as PDT reagent and fluorescent probe COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2016-01-20 CN claimed
CN-103003282-A A process for the preparation of novel porphyrin derivatives and their use as PDT agents and fluorescence probes COUNCIL SCIENT IND RES 2013-03-27 CN claimed
CN-105820183-A Boron dipyrromethene compound containing alpha,beta-unsaturated ketone, and application of same in detection of sulfite 华东理工大学 2016-08-03 CN disclosed
CN-103003282-B A kind of prepare new derivatives of porphyrin method and purposes as PDT reagent and fluorescent probe COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2016-01-20 CN disclosed
CN-103003282-A A process for the preparation of novel porphyrin derivatives and their use as PDT agents and fluorescence probes COUNCIL SCIENT IND RES 2013-03-27 CN disclosed
US-8133474-B2 Porphyrin chelate compound that may be complexed with zinc, manganese, magnesium, iron or aluminum; capable of insertion into cell; zinc, calcium, mercury, cadmium, and lead analytes; determining shift in signal; medical diagnosis MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-03-13 US disclosed
US-20080138292-A1 Sensors for fluorescence and magnetic resonance imaging MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2008-06-12 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-20080138292-A1 Sensors for fluorescence and magnetic resonance imaging CA2, SLC30A6, SLC39A3 CYP19A1 3881/4885DPP4 2368/4885TSHR 4006/4885

“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.