SCHEMBL23511786

SCHEMBL23511786

CCC(C)c1ccc(C#CCOC)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.41
▸ TSHR P16473 2/20 0.41
▸ FFAR1 O14842 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ GAA P10253 2/20 0.38
▸ CYP2C9 P11712 2/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ ACACB O00763 2/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ ALOX12 P18054 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
SCHEMBL19036905 0.84 GRM5 (0.43) FFAR1CYP2C9CYP3A4ACACBCYP2D6
SCHEMBL19629002 0.81 CYP3A4 (0.38) FFAR1CYP2C9CYP3A4ACACBCYP2D6
SCHEMBL18244897 0.74 ALDH1A1 (0.42) ALDH1A1TSHRFFAR1MAPTGAA
SCHEMBL19629593 0.74 CYP2A6 (0.47) ALDH1A1FFAR1CYP2C9CYP3A4ACACB
SCHEMBL18608233 0.74 KCNH2 (0.51) ALDH1A1FFAR1MAPTCYP2C9CYP3A4
SCHEMBL12016065 0.72 LMNA (0.46) CYP2C9CYP3A4CYP2D6CYP2C19MEN1
SCHEMBL29084200 0.72 APP (0.53) CYP2C9CYP3A4CYP2D6CYP2C19
SCHEMBL17729351 0.72 APP (0.53) ALDH1A1TSHRMAPTCYP2C9CYP3A4
SCHEMBL10488162 0.72 CYP3A4 (0.41) CYP2C9CYP3A4CYP2D6CYP2C19LMNA
SCHEMBL25864597 0.72 CYP3A4 (0.41) ALDH1A1MAPTCYP2C9CYP3A4ACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11351173-B2 Substituted pyrrolo[1,2-a]pyrimidines and their use in the treatment of medical disorders Bial—R&D Investments, S.A. (PT) 2022-06-07 — — US disclosed
US-20210177853-A1 SUBSTITUTED PYRROLO[1,2-A]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL - R&D INVESTMENTS, S.A. (PT) 2021-06-17 — — 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 (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-11351173-B2 Substituted pyrrolo[1,2-a]pyrimidines and their use in the treatment of medical disorders TYMP, PARK7, PNP ALDH1A1 1739/4885TSHR 4155/4885FFAR1 3326/4885
US-20210177853-A1 SUBSTITUTED PYRROLO[1,2-A]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS TYMP, PARK7, PNP ALDH1A1 1739/4885TSHR 4155/4885FFAR1 3326/4885

“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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