SCHEMBL3088943

SCHEMBL3088943

CCCCCCCC1O[C@@H](C)C[C@H](C)O1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
EBP Q15125 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
EPHX1 P07099 1/20 0.42
PRKD3 O94806 2/20 0.37
PRKCG P05129 2/20 0.37
PRKCB P05771 2/20 0.37
PRKCA P17252 2/20 0.37
PRKCH P24723 2/20 0.37
PRKCI P41743 2/20 0.37
PRKCE Q02156 2/20 0.37
PRKCQ Q04759 2/20 0.37
PRKCZ Q05513 2/20 0.37
PRKCD Q05655 2/20 0.37
PRKD1 Q15139 2/20 0.37
ALOX5 P09917 1/20 0.36
ENPP2 Q13822 1/20 0.36
LPAR2 Q9HBW0 1/20 0.36
CYP1A2 P05177 2/20 0.35
TSHR P16473 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
SCHEMBL5604227 1.00 ALDH1A1 (0.50) ALDH1A1EBPSIGMAR1EPHX1PRKD3
SCHEMBL3088946 1.00 ALDH1A1 (0.50) ALDH1A1EBPSIGMAR1EPHX1PRKD3
SCHEMBL27215949 1.00 ALDH1A1 (0.50) ALDH1A1EBPSIGMAR1EPHX1PRKD3
SCHEMBL7941145 0.91 ALDH1A1 (0.38) ALDH1A1EBPSIGMAR1EPHX1CYP1A2
SCHEMBL10018689 0.84
SCHEMBL11263375 0.81 ALDH1A1 (0.56) ALDH1A1EBPSIGMAR1EPHX1PRKD3
SCHEMBL11270485 0.81 ALDH1A1 (0.56) ALDH1A1EBPSIGMAR1EPHX1PRKD3
SCHEMBL5945074 0.79 ALDH1A1 (0.50) ALDH1A1EBPSIGMAR1EPHX1PRKD3
SCHEMBL5945072 0.79 ALDH1A1 (0.50) ALDH1A1EBPSIGMAR1EPHX1PRKD3
SCHEMBL3505674 0.79 ALDH1A1 (0.50) ALDH1A1EBPSIGMAR1EPHX1PRKD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629268-B2 Cyclisation process of forming a multiple ring compound NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2014-01-14 US disclosed
US-20130046090-A1 CYCLISATION PROCESS OF FORMING A MULTIPLE RING COMPOUND NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2013-02-21 US disclosed
US-8227645-B2 Cyclisation process of forming a multiple ring compound NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2012-07-24 US disclosed
US-20100228058-A1 CYCLISATION PROCESS OF FORMING A MULTIPLE RING COMPOUND NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2010-09-09 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 (2 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-20100228058-A1 CYCLISATION PROCESS OF FORMING A MULTIPLE RING COMPOUND DHPS, GGPS1, COASY ALDH1A1 1419/4885EBP 1556/4885SIGMAR1 4797/4885
US-20130046090-A1 CYCLISATION PROCESS OF FORMING A MULTIPLE RING COMPOUND COASY, AKR1C4, AKR1C2 ALDH1A1 438/4885EBP 1232/4885SIGMAR1 4812/4885

“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.