SCHEMBL844528

SCHEMBL844528

CCCCCCCCc1ccc(-c2ccnc(-c3cc(-c4ccc(CCCCCCCC)s4)ccn3)c2)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.37
HSD17B1 P14061 2/20 0.36
HSD17B2 P37059 2/20 0.36
RAB9A P51151 3/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
STAT3 P40763 1/20 0.33
ATM Q13315 1/20 0.33
CYP2D6 P10635 3/20 0.33
CYP2C19 P33261 3/20 0.33
CYP2C9 P11712 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP19A1 P11511 1/20 0.33
KCNH2 Q12809 1/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
KDM4E B2RXH2 3/20 0.32
CYP2A6 P11509 2/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL29946176 1.00 PRKCI (0.37) PRKCIHSD17B1HSD17B2RAB9AMAPT
SCHEMBL13859420 1.00 PRKCI (0.37) PRKCIHSD17B1HSD17B2RAB9AMAPT
SCHEMBL29669260 0.99 PRKCI (0.36) PRKCIHSD17B1HSD17B2RAB9AMAPT
SCHEMBL29631485 0.99 PRKCI (0.36) PRKCIHSD17B1HSD17B2RAB9AMAPT
SCHEMBL14575073 0.97 PRKCI (0.35) PRKCIHSD17B1HSD17B2RAB9AMAPT
SCHEMBL14846491 0.97 PRKCI (0.35) PRKCIHSD17B1HSD17B2RAB9AMAPT
SCHEMBL26448827 0.95 PRKCI (0.34) PRKCIHSD17B1HSD17B2RAB9AMAPT
SCHEMBL526002 0.91 HSD17B1 (0.41) HSD17B1HSD17B2RAB9AMAPTSMN1; SMN2
SCHEMBL12578149 0.89 HSD17B1 (0.44) PRKCIHSD17B1HSD17B2RAB9AMAPT
SCHEMBL526704 0.89 HSD17B1 (0.39) HSD17B1HSD17B2RAB9AMAPTSMN1; SMN2

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
US-8143399-B2 Photosensitizer dye NATIONAL CENTRAL UNIVERSITY (TW) 2012-03-27 US disclosed
US-7645879-B2 Photosensitizer dye NATIONAL CENTRAL UNIVERSITY (TW) 2010-01-12 US disclosed
US-20090209761-A1 PHOTOSENSITIZER DYE NATIONAL CENTRAL UNIVERSITY (TW) 2009-08-20 US disclosed
US-20090209762-A1 PHOTOSENSITIZER DYE NATIONAL CENTRAL UNIVERSITY (TW) 2009-08-20 US disclosed
US-7321037-B2 Photosensitizer dye NATIONAL CENTRAL UNIVERSITY (TW) 2008-01-22 US disclosed
US-20070265443-A1 PHOTOSENSITIZER DYE NATIONAL CENTRAL UNIVERSITY (TW) 2007-11-15 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 (3 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-20070265443-A1 PHOTOSENSITIZER DYE CRY2, CRY1, TYR PRKCI 4476/4885HSD17B1 3757/4885HSD17B2 3188/4885
US-20090209762-A1 PHOTOSENSITIZER DYE CRY2, CRY1, PPOX PRKCI 3923/4885HSD17B1 938/4885HSD17B2 705/4885
US-20090209761-A1 PHOTOSENSITIZER DYE CRY1, CRY2, TYR PRKCI 4390/4885HSD17B1 1015/4885HSD17B2 903/4885

“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.