SCHEMBL876624

SCHEMBL876624

ClCc1ccc2c(c1)Cc1c(CCl)cccc1-2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.46
HSP90AA1 P07900 2/20 0.39
TSHR P16473 3/20 0.36
ALDH1A1 P00352 2/20 0.36
ATM Q13315 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TP53 P04637 1/20 0.35
MAPK1 P28482 1/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
PGR P06401 1/20 0.34
CYP17A1 P05093 1/20 0.34
GPR84 Q9NQS5 1/20 0.34
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 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
SCHEMBL9875183 0.81 PNMT (0.68) PNMTHSP90AA1ALDH1A1NPC1RAB9A
SCHEMBL27399387 0.78 TSHR (0.42) TSHRALDH1A1ATMNPSR1NPC1
SCHEMBL5515193 0.78 ALDH1A1 (0.55) TSHRALDH1A1ATMNPSR1NPC1
SCHEMBL3047696 0.77 PGR (0.48) PNMTHSP90AA1TSHRALDH1A1ATM
SCHEMBL28812760 0.73 PNMT (0.61) PNMTHSP90AA1ALDH1A1NPC1RAB9A
SCHEMBL8993336 0.72 POLB (0.38) HSP90AA1TSHRALDH1A1SMN1; SMN2LMNA
SCHEMBL26420412 0.72 ALDH1A1 (0.50) PNMTHSP90AA1TSHRALDH1A1ATM
SCHEMBL26778600 0.71 TSHR (0.43) PNMTHSP90AA1TSHRALDH1A1ATM
SCHEMBL11620189 0.70 AKR1B1 (0.39) TSHRALDH1A1ATMNPSR1NPC1
SCHEMBL29809412 0.70 SRD5A1 (0.47) HSP90AA1TSHRALDH1A1ATMNPSR1

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-20120074336-A1 LIGHT-DRIVEN ROTARY MOLECULAR MOTORS BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION, ON BEHALF OF THE (US) 2012-03-29 US disclosed
US-20110077394-A1 LIGHT-DRIVEN ROTARY MOLECULAR MOTORS NATIONAL SCIENCE FOUNDATION 2011-03-31 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-20110077394-A1 LIGHT-DRIVEN ROTARY MOLECULAR MOTORS CCNA2, CCNO, SCO2 PNMT 3281/4885HSP90AA1 4079/4885TSHR 752/4885

“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.