SCHEMBL20973808

SCHEMBL20973808

O=C(O)N1CCCC[C@H](O)C1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
HPGD P15428 1/20 0.40
DPP4 P27487 3/20 0.40
DPP7 Q9UHL4 3/20 0.40
HTT P42858 1/20 0.39
TSHR P16473 2/20 0.38
ALDH1A1 P00352 3/20 0.37
KMT2A Q03164 1/20 0.37
GRM3 Q14832 1/20 0.36
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL22370881 1.00 CA12 (0.47) CA12CA1CA2CA9HPGD
SCHEMBL19582680 1.00 CA12 (0.47) CA12CA1CA2CA9HPGD
SCHEMBL2409552 0.93 CA12 (0.53) CA12CA1CA2CA9HPGD
SCHEMBL1666565 0.93 CA12 (0.53) CA12CA1CA2CA9HPGD
SCHEMBL200488 0.93 CA12 (0.53) CA12CA1CA2CA9HPGD
Ammonia Solution, Strong SCHEMBL7354973 0.91 CA12 (0.52) CA12CA1CA2CA9HPGD
Ammonia Solution, Strong SCHEMBL7354978 0.91 CA12 (0.52) CA12CA1CA2CA9HPGD
Ammonia Solution, Strong SCHEMBL7360612 0.91 CA12 (0.52) CA12CA1CA2CA9HPGD
Alcohol SCHEMBL7359179 0.84 CA12 (0.46) CA12CA1CA2CA9DPP4
Butane SCHEMBL28217400 0.84 CA12 (0.46) CA12CA1CA2CA9DPP4

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-20230295137-A1 COVALENT EGFR INHIBITORS AND METHODS OF USE THEREOF DANA FARBER CANCER INST INC (US) 2023-09-21 US disclosed
US-10722514-B2 Ubiquitin-specific-processing protease 7 (USP7) modulators and uses thereof RAPT THERAPEUTICS, INC. (US) 2020-07-28 US disclosed
US-20190142834-A1 UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 7 (USP7) MODULATORS AND USES THEREOF RAPT THERAPEUTICS, INC. 2019-05-16 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 (3 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-20190142834-A1 UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 7 (USP7) MODULATORS AND USES THEREOF USP7, SENP7, USP8 CA12 2965/4885CA1 1934/4885CA2 4637/4885
US-20230295137-A1 COVALENT EGFR INHIBITORS AND METHODS OF USE THEREOF EGFR, ERBB2, ERBB3 CA12 2051/4885CA1 3193/4885CA2 2566/4885
US-10722514-B2 Ubiquitin-specific-processing protease 7 (USP7) modulators and uses thereof USP7, SENP7, USP8 CA12 2965/4885CA1 1934/4885CA2 4637/4885

“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.