SCHEMBL20093602

SCHEMBL20093602

CCOC(=O)CCCC1CCN(C)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.43
▸ USP2 O75604 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ RAB9A P51151 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ SMYD3 Q9H7B4 1/20 0.40
▸ GNAI3 P08754 1/20 0.40
▸ GNAO1 P09471 1/20 0.40
▸ GNAI1 P63096 1/20 0.40
▸ MAPT P10636 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HTR4 Q13639 1/20 0.38
▸ FKBP1A P62942 1/20 0.37
▸ NR1I2 O75469 1/20 0.36
▸ PGR P06401 1/20 0.36

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
SCHEMBL1715761 0.92 GNAI3 (0.48) ALDH1A1USP2ALOX15TDP1CYP1A2
SCHEMBL20088217 0.82 ALDH1A1 (0.40) ALDH1A1USP2ALOX15TDP1CYP1A2
SCHEMBL15800376 0.80 POLB (0.40) ALDH1A1SMN1; SMN2MAPTPOLBCHRM3
SCHEMBL5107684 0.80 L3MBTL1 (0.44) ALDH1A1USP2ALOX15TDP1CYP1A2
SCHEMBL14747927 0.79 GNAI3 (0.43) SMN1; SMN2GNAI3GNAO1GNAI1MAPT
SCHEMBL5282029 0.78 FAAH (0.48) ALDH1A1TSHR
SCHEMBL25089523 0.78 ALDH1A1 (0.42) ALDH1A1USP2ALOX15TDP1CYP1A2
SCHEMBL15369772 0.78 CYP1A2 (0.50) ALDH1A1USP2ALOX15TDP1CYP1A2
SCHEMBL10015644 0.78 CHRM1 (0.45) ALDH1A1USP2ALOX15TDP1CYP1A2
SCHEMBL8276625 0.78 GNAI3 (0.43) SMN1; SMN2GNAI3GNAO1GNAI1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180111913-A1 SUBSTITUTED BENZOFURAN DERIVATIVES AS NOVEL ANTIMYCOBACTERIAL AGENTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-04-26 — — 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-20180111913-A1 SUBSTITUTED BENZOFURAN DERIVATIVES AS NOVEL ANTIMYCOBACTERIAL AGENTS ACAT1, ACAT2, FNTB ALDH1A1 3132/4885USP2 2602/4885ALOX15 1502/4885

“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.

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