SCHEMBL17294705

SCHEMBL17294705

CN1CCCC(c2ccccc2C(O)(C(=O)O)c2ccccc2)C1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CHRM3 P20309 4/20 0.44
RBP4 P02753 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL30128750 1.00 ATM (0.50) ATML3MBTL1CYP3A4CYP2D6CHRM3
SCHEMBL6425438 0.86 CYP3A4 (0.43) CYP3A4CYP2D6CYP1A2
SCHEMBL1004280 0.85 CHRM3 (0.54) CHRM3RBP4ALDH1A1
SCHEMBL15935217 0.77 HTR2A (0.46) ATML3MBTL1CYP2D6
SCHEMBL13416029 0.76 HTR2A (0.58) RBP4
SCHEMBL17871674 0.76 ALDH1A1 (0.52) ATML3MBTL1CYP3A4CYP2D6CHRM3
Benzylic Acid SCHEMBL28790412 0.75 CHRM3 (0.54) ATML3MBTL1CYP3A4CYP2D6CHRM3
SCHEMBL5160638 0.75 IKBKB (0.41)
SCHEMBL30830968 0.75 MYC (0.47) ATML3MBTL1CYP2D6
Bromomethane SCHEMBL19839345 0.74 ALDH1A1 (0.50) ATML3MBTL1CYP3A4CYP2D6CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10207993-B2 Compounds as anti-tubercular agents SPHAERA PHARMA PVT. LTD. (IN) 2019-02-19 US claimed
US-20170334851-A1 NOVEL COMPOUNDS AS ANTI-TUBERCULAR AGENTS SPHAERA PHARMA PVT. LTD. (IN) 2017-11-23 US claimed
US-20170183305-A1 NOVEL COMPOUNDS AS ANTI-TUBERCULAR AGENTS SPHAERA PHARMA PVT. LTD. (IN) 2017-06-29 US claimed
EP-3148518-A2 NOVEL COMPOUNDS AS ANTI-TUBERCULAR AGENTS Sphaera Pharma Pvt. Ltd. (IN) 2017-04-05 EP claimed
WO-2015181837-A2 NOVEL COMPOUNDS AS ANTI-TUBERCULAR AGENTS SPHAERA PHARMA PVT. LTD. (IN) 2015-12-03 WO claimed
EP-3148518-B1 NOVEL COMPOUNDS AS ANTI-TUBERCULAR AGENTS SPHAERA PHARMA PRIVATE LTD (IN) 2022-11-30 EP disclosed
US-10207993-B2 Compounds as anti-tubercular agents SPHAERA PHARMA PVT. LTD. (IN) 2019-02-19 US disclosed
US-10100012-B2 Compounds as anti-tubercular agents SPHAERA PHARMA PVT. LTD. (IN) 2018-10-16 US disclosed
US-20170334851-A1 NOVEL COMPOUNDS AS ANTI-TUBERCULAR AGENTS SPHAERA PHARMA PVT. LTD. (IN) 2017-11-23 US disclosed
US-20170183305-A1 NOVEL COMPOUNDS AS ANTI-TUBERCULAR AGENTS SPHAERA PHARMA PVT. LTD. (IN) 2017-06-29 US disclosed
EP-3148518-A2 NOVEL COMPOUNDS AS ANTI-TUBERCULAR AGENTS Sphaera Pharma Pvt. Ltd. (IN) 2017-04-05 EP disclosed
WO-2015181837-A2 NOVEL COMPOUNDS AS ANTI-TUBERCULAR AGENTS SPHAERA PHARMA PVT. LTD. (IN) 2015-12-03 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 (4 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-10100012-B2 Compounds as anti-tubercular agents FNTB, G6PD, PGGT1B ATM 2779/4885L3MBTL1 4594/4885CYP3A4 527/4885
US-10207993-B2 Compounds as anti-tubercular agents FNTB, G6PD, PGGT1B ATM 2779/4885L3MBTL1 4594/4885CYP3A4 527/4885
US-20170334851-A1 NOVEL COMPOUNDS AS ANTI-TUBERCULAR AGENTS FNTB, PGGT1B, GGPS1 ATM 2570/4885L3MBTL1 4494/4885CYP3A4 1284/4885
US-20170183305-A1 NOVEL COMPOUNDS AS ANTI-TUBERCULAR AGENTS FNTB, PGGT1B, GGPS1 ATM 2570/4885L3MBTL1 4494/4885CYP3A4 1284/4885

“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.