SCHEMBL9770202

SCHEMBL9770202

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nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
HMGCR P04035 1/20 0.43
CHRM1 P11229 1/20 0.43
TBXA2R P21731 1/20 0.43
ADRA1A P35348 1/20 0.43
TSHR P16473 3/20 0.41
HIF1A Q16665 3/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2D6 P10635 1/20 0.41
CPT2 P23786 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
KDM4E B2RXH2 1/20 0.36
FFAR1 O14842 1/20 0.36
ACLY P53396 3/20 0.35
LDHA P00338 1/20 0.33
SRR Q9GZT4 1/20 0.33
LMNA P02545 1/20 0.33
ALKBH5 Q6P6C2 1/20 0.33
SUCNR1 Q9BXA5 1/20 0.33
EGLN1 Q9GZT9 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
SCHEMBL4807365 0.93 ALDH1A1 (0.43) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL12386935 0.93 ALDH1A1 (0.43) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL18265155 0.87 HMGCR (0.40) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL25390350 0.83 TBXA2R (0.42) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL27301329 0.83 TBXA2R (0.42) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL544773 0.82 ALDH1A1 (0.50) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL5524326 0.81 FFAR1 (0.50) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL540585 0.79 FFAR1 (0.42) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
Acrylic Acid SCHEMBL31096489 0.79 LMNA (0.48) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
Glycolic Acid SCHEMBL2762201 0.76 ALDH1A1 (0.38) ALDH1A1HMGCRCHRM1TBXA2RADRA1A

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-20110269652-A1 GEMINI SURFACTANTS ST. FRANCIS XAVIER UNIVERSITY (CA) 2011-11-03 US disclosed
US-5068220-A Polylactams as binders for drugs and as absorbable binders SHARPOINT L.P. (US) 1991-11-26 US disclosed
US-4983491-A LITHOGRAPHIC PRINTING PLATES FUJI PHOTO FILM CO., LTD. 1991-01-08 US disclosed
US-4950735-A HOMO-AND COPOLYMERS OF 3,3-BIS(HYDROXYMETHYL)GLUTARIC ACID; LACTAMIZATION; FLEXIBILITY; ABSORBABLE SUTURES; SUSTAINED RELEASE DRUG DELIVERY SHARPOINT L.P. (US) 1990-08-21 US disclosed
US-3935166-A OR 2,7 NAPHTHALENE DICARBOXYLIC ACIDADHESIVE TEIJIN LIMITED (JA) 1976-01-27 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-20110269652-A1 GEMINI SURFACTANTS SGMS1, DEGS1, GMNN ALDH1A1 2106/4885HMGCR 785/4885CHRM1 917/4885

“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.