Sugi Predict

Sugi Predict / Compounds / SCHEMBL3087773

SCHEMBL3087773

SCHEMBL3087773

CCOC(OCC)c1cc2ccccc2c2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TRPM4 Q8TD43 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ HSD17B10 Q99714 3/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ CYP1B1 Q16678 1/20 0.38
▸ HPRT1 P00492 1/20 0.35
▸ NR1I2 O75469 1/20 0.35
▸ GPR84 Q9NQS5 2/20 0.34
▸ BTK Q06187 1/20 0.34
▸ CYP2A6 P11509 2/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ L3MBTL1 Q9Y468 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
SCHEMBL8738086 0.79 TRPM4 (0.42) TRPM4ALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL5389176 0.73 SYK (0.45) ALDH1A1HTR2AL3MBTL1
SCHEMBL25059970 0.72 TRPM4 (0.46) TRPM4ALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL5384722 0.72 KDM4E (0.41) ALDH1A1HSD17B10CYP1A2TDP1HPGD
SCHEMBL5382313 0.72 BCHE (0.38) HIF1ACYP1A2TSHRALOX5
SCHEMBL1127908 0.72 TLR8 (0.50) TRPM4ALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL5386636 0.71 IDO1 (0.46) TSHRALOX5L3MBTL1
SCHEMBL24359528 0.71 TRPM4 (0.38) TRPM4ALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL16406621 0.71 CYP1A2 (0.38) TRPM4ALDH1A1HSD17B10HIF1ACYP1B1
SCHEMBL14063452 0.70 TRPM4 (0.41) TRPM4ALDH1A1HSD17B10HIF1ACYP1B1

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 5 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
WO-2007097719-A1 CYCLISATION PROCESS OF FORMING A MULTIPLE RING COMPOUND NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2007-08-30 — — WO 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 TRPM4 1511/4885ALDH1A1 1419/4885HSD17B10 129/4885
US-20130046090-A1 CYCLISATION PROCESS OF FORMING A MULTIPLE RING COMPOUND COASY, AKR1C4, AKR1C2 TRPM4 2041/4885ALDH1A1 438/4885HSD17B10 74/4885

“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.