SCHEMBL17249790

SCHEMBL17249790

CCCCOc1c2c(c(OCCCC)c3cc4ccccc4cc13)-c1nc-2nc2[nH]c(nc3nc(nc4[nH]c(n1)c1c(C)c5cc6ccccc6cc5c(OCCCC)c41)-c1c-3c(OCCCC)c3cc4ccccc4cc3c1OCCCC)c1c(OCCCC)c3ccccc3c(C)c21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.35
KDM4E B2RXH2 3/20 0.35
CYP1A2 P05177 3/20 0.35
CYP3A4 P08684 3/20 0.35
HSD17B10 Q99714 2/20 0.35
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34
GABRA4 P48169 1/20 0.34
GABRE P78334 1/20 0.34
GABRA6 Q16445 1/20 0.34
GABRG1 Q8N1C3 1/20 0.34
GABRG3 Q99928 1/20 0.34

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
SCHEMBL17249788 1.00 TSHR (0.35) TSHRKDM4ECYP1A2CYP3A4HSD17B10
SCHEMBL17249786 0.99 TSHR (0.36) TSHRKDM4ECYP1A2CYP3A4HSD17B10
SCHEMBL17249789 0.99 TSHR (0.36) TSHRKDM4ECYP1A2CYP3A4HSD17B10
SCHEMBL17249798 0.97 CYP1A2 (0.34) TSHRKDM4ECYP1A2CYP3A4HSD17B10
SCHEMBL17249794 0.96 KDM4E (0.33) TSHRKDM4ECYP1A2CYP3A4HSD17B10
SCHEMBL17249801 0.96 KDM4E (0.33) TSHRKDM4ECYP1A2CYP3A4HSD17B10
SCHEMBL17249797 0.95 CYP1A2 (0.34) TSHRKDM4ECYP1A2CYP3A4HSD17B10
SCHEMBL17249795 0.95 CYP1A2 (0.34) TSHRKDM4ECYP1A2CYP3A4HSD17B10
SCHEMBL17249802 0.95 CYP1A2 (0.35) TSHRKDM4ECYP1A2CYP3A4HSD17B10
SCHEMBL17249800 0.94 CYP1A2 (0.34) TSHRKDM4ECYP1A2CYP3A4HSD17B10

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 TSHR 2907/4885KDM4E 3262/4885CYP1A2 1845/4885

“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.