SCHEMBL17693438

SCHEMBL17693438

O=COc1cccc(C(=O)O)c1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.45
▸ PKM P14618 1/20 0.41
▸ HPD P32754 8/20 0.40
▸ KDM4E B2RXH2 5/20 0.40
▸ HPGD P15428 4/20 0.40
▸ HSD17B10 Q99714 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ CDK2 P24941 1/20 0.39
▸ HTT P42858 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ ESR1 P03372 1/20 0.38
▸ ITGB3 P05106 1/20 0.38
▸ ITGA2B P08514 1/20 0.38
▸ HMGB1 P09429 1/20 0.38
▸ GGT1 P19440 1/20 0.38
▸ PTGS1 P23219 1/20 0.38

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
SCHEMBL104452 0.81 PKM (0.59) TSHRPKMKDM4EHPGDHSD17B10
SCHEMBL29740471 0.81 PKM (0.59) TSHRPKMKDM4EHPGDHSD17B10
SCHEMBL19622615 0.80 GPR35 (0.53) TSHRKDM4EHPGDHSD17B10MAPT
SCHEMBL1497989 0.78 TSHR (0.60) TSHRPKMKDM4EHPGDHSD17B10
SCHEMBL9718761 0.77 HPSE (0.56) TSHRKDM4EMAPTHTTALDH1A1
SCHEMBL4750504 0.77 HPSE (0.56) TSHRKDM4EMAPTHTTALDH1A1
SCHEMBL933092 0.77 KDM4E (0.58) TSHRKDM4EHPGDHSD17B10MAPT
SCHEMBL1982757 0.77 TLR8 (0.45) TSHRHPDHPGDMAPK1ALDH1A1
SCHEMBL28225964 0.77 ALDH1A1 (0.60) TSHRHPGDHSD17B10ALDH1A1MEN1
SCHEMBL30490414 0.77 TSHR (0.58) TSHRPKMKDM4EHPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109810047-A (R) synthetic method of the chiral intermediate of -3- Phenylpiperidine or/and (S) -3- Phenylpiperidine and Ni Lapani 上海博邦医药科技有限公司 2019-05-28 — — CN disclosed
US-9738753-B2 Programmed degradation of polymers derived from biomass NDSU RESEARCH FOUNDATION (US) 2017-08-22 — — US disclosed
US-20160108172-A1 PROGRAMMED DEGRADATION OF POLYMERS DERIVED FROM BIOMASS NORTH DAKOTA STATE UNIVERSITY 2016-04-21 — — 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-20160108172-A1 PROGRAMMED DEGRADATION OF POLYMERS DERIVED FROM BIOMASS PARG, PPOX, PGLS TSHR 4715/4885PKM 323/4885HPD 39/4885

“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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