SCHEMBL3010738

SCHEMBL3010738

C[C@](C(=O)O)(C(=O)CC1c2ccccc2-c2ccccc21)N(c1ccccc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
POLB P06746 2/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 1/20 0.35
HTR2A P28223 1/20 0.34
FABP7 O15540 1/20 0.33
FABP5 Q01469 1/20 0.33
CYP1A2 P05177 1/20 0.33
MDM4 O15151 1/20 0.33
TP53 P04637 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
SCHEMBL3094306 0.80 FABP5 (0.44) KMT2AFABP7FABP5MDM4TP53
SCHEMBL4409222 0.80 FABP5 (0.44) KMT2AFABP7FABP5MDM4TP53
SCHEMBL409927 0.77 ALDH1A1 (0.51) TSHRPOLBALDH1A1KMT2AMAPT
SCHEMBL42370 0.69 EGFR (0.51) TSHRKMT2AMAPTHTR2AFABP7
Ammonia Solution, Strong SCHEMBL27729485 0.68 EGFR (0.50) TSHRKMT2AMAPTHTR2AFABP7
SCHEMBL8279094 0.68 POLB (0.50) TSHRPOLBKMT2AMAPTHTR2A
SCHEMBL1568272 0.66 TSHR (0.50) TSHRPOLBKMT2AMAPTHTR2A
SCHEMBL3660751 0.66 KMT2A (0.43) TSHRPOLBALDH1A1KMT2AMEN1
SCHEMBL3655455 0.65 MEN1 (0.39) TSHRALDH1A1KMT2AMEN1CYP3A4
SCHEMBL27221202 0.65 MEN1 (0.39) TSHRALDH1A1KMT2AMEN1CYP3A4

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-8802193-B2 Vapor deposition of biomolecules RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2014-08-12 US disclosed
US-20100204443-A1 VAPOR DEPOSITION OF BIOMOLECULES Ramont At Tel Aviv University Ltd. (IL) 2010-08-12 US disclosed
EP-2198069-A1 VAPOR DEPOSITION OF BIOMOLECULES Ramot at Tel-Aviv University Ltd. (IL) 2010-06-23 EP disclosed
WO-2009034566-A1 VAPOR DEPOSITION OF BIOMOLECULES RAMOT AT TEL AVIV UNIVERSITY LTD. (IL) 2009-03-19 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 (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-20100204443-A1 VAPOR DEPOSITION OF BIOMOLECULES EPCAM, SHBG, VIM TSHR 2181/4885POLB 987/4885ALDH1A1 1448/4885

“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.