SCHEMBL17249802

SCHEMBL17249802

CCCCOc1c2c(c(OCCCC)c3cc4ccccc4cc13)-c1nc-2nc2[nH]c(nc3nc(nc4[nH]c(n1)c1c(C)c5ccccc5c(OC)c41)-c1c-3c(OCCCC)c3cc4ccccc4cc3c1OCCCC)c1c(OC)c3ccccc3c(C)c21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.35
KDM4E B2RXH2 4/20 0.35
TSHR P16473 4/20 0.35
CYP3A4 P08684 3/20 0.35
HSD17B10 Q99714 2/20 0.35
CYP2D6 P10635 2/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRA4 P48169 1/20 0.33
GABRE P78334 1/20 0.33
GABRA6 Q16445 1/20 0.33
GABRG1 Q8N1C3 1/20 0.33

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
SCHEMBL17249800 0.99 CYP1A2 (0.34) CYP1A2KDM4ETSHRCYP3A4HSD17B10
SCHEMBL17249798 0.98 CYP1A2 (0.34) CYP1A2KDM4ETSHRCYP3A4HSD17B10
SCHEMBL17249795 0.98 CYP1A2 (0.34) CYP1A2KDM4ETSHRCYP3A4HSD17B10
SCHEMBL17249794 0.97 KDM4E (0.33) CYP1A2KDM4ETSHRCYP3A4HSD17B10
SCHEMBL17249801 0.97 KDM4E (0.33) CYP1A2KDM4ETSHRCYP3A4HSD17B10
SCHEMBL17249799 0.97 CYP1A2 (0.34) CYP1A2KDM4ETSHRCYP3A4HSD17B10
SCHEMBL17249797 0.96 CYP1A2 (0.34) CYP1A2KDM4ETSHRCYP3A4HSD17B10
SCHEMBL17249789 0.96 TSHR (0.36) CYP1A2KDM4ETSHRCYP3A4HSD17B10
SCHEMBL17249786 0.96 TSHR (0.36) CYP1A2KDM4ETSHRCYP3A4HSD17B10
SCHEMBL17249790 0.95 TSHR (0.35) CYP1A2KDM4ETSHRCYP3A4HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150323702-A1 NEAR-INFRARED ABSORBING AGENT AND NEAR-INFRARED ABSORBING COMPOSITION ADEKA CORPORATION (JP) 2015-11-12 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-20150323702-A1 NEAR-INFRARED ABSORBING AGENT AND NEAR-INFRARED ABSORBING COMPOSITION RB1, RARA, CRYAA CYP1A2 1845/4885KDM4E 3262/4885TSHR 2907/4885

“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.