SCHEMBL7954017

SCHEMBL7954017

CCCC(CC)c1cccc(C(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.51
ENPEP Q07075 1/20 0.51
ALDH1A1 P00352 2/20 0.49
KMT2A Q03164 1/20 0.46
GRM4 Q14833 1/20 0.43
CASR P41180 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA6 P23280 1/20 0.42
CA9 Q16790 1/20 0.42
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
FOLH1 Q04609 1/20 0.41
LTB4R Q15722 1/20 0.41
MAPT P10636 2/20 0.41
PTGS1 P23219 2/20 0.41
CXCR1 P25024 2/20 0.41
CXCR2 P25025 2/20 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
SCHEMBL13951835 0.90 ANPEP (0.57) ANPEPENPEPALDH1A1KMT2ACA12
SCHEMBL24850046 0.89 LTB4R (0.48) ANPEPENPEPALDH1A1KMT2ALTB4R
SCHEMBL12799171 0.87 LMNA (0.43) ALDH1A1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL23776303 0.86 ANPEP (0.48) ANPEPENPEPALDH1A1KMT2AGRM4
SCHEMBL21164506 0.86 PARP1 (0.46) ANPEPENPEP
SCHEMBL17060017 0.83 MEN1 (0.41) ANPEPENPEPALDH1A1KMT2ACA12
SCHEMBL6838300 0.82 ANPEP (0.53) ANPEPENPEPALDH1A1KMT2AGRM4
SCHEMBL28555690 0.82 ANPEP (0.53) ANPEPENPEPALDH1A1KMT2AGRM4
SCHEMBL9843117 0.81 ANPEP (0.59) ANPEPENPEPALDH1A1KMT2ACA12
Ammonia Solution, Strong SCHEMBL6014470 0.81 ANPEP (0.51) ANPEPENPEPALDH1A1KMT2AGRM4

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
US-11174281-B1 Modified nucleotides and uses thereof Singular Genomics Systems, Inc. (US) 2021-11-16 US disclosed
US-10350208-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ROIVANT SCIENCES GMBH (CH) 2019-07-16 US disclosed
WO-2001083420-A2 METHOD OF MAKING SUBSTITUTED DIHALO AROMATIC ACID CHLORIDES OCCIDENTAL CHEMICAL CORPORATION (US) 2001-11-08 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 (2 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-10350208-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A ANPEP 2262/4885ENPEP 2110/4885ALDH1A1 433/4885
US-11174281-B1 Modified nucleotides and uses thereof NUDT1, RNMT, ADAR ANPEP 880/4885ENPEP 685/4885ALDH1A1 1149/4885

“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.