SCHEMBL21881791

SCHEMBL21881791

COc1ccc(C)c(-c2cc(F)cc(F)c2C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 1/20 0.40
▸ PDE10A Q9Y233 1/20 0.40
▸ FFAR4 Q5NUL3 1/20 0.38
▸ AMY1A P0DUB6 1/20 0.37
▸ MAPK14 Q16539 3/20 0.36
▸ TUBB1 Q9H4B7 2/20 0.36
▸ TUBB4A P04350 1/20 0.36
▸ TUBB P07437 1/20 0.36
▸ TUBA3C P0DPH7 1/20 0.36
▸ TUBA1B P68363 1/20 0.36
▸ TUBA4A P68366 1/20 0.36
▸ TUBB4B P68371 1/20 0.36
▸ TUBB3 Q13509 1/20 0.36
▸ TUBB2A Q13885 1/20 0.36
▸ TUBB8 Q3ZCM7 1/20 0.36
▸ TUBA3E Q6PEY2 1/20 0.36
▸ TUBA1A Q71U36 1/20 0.36
▸ TUBA1C Q9BQE3 1/20 0.36
▸ TUBB6 Q9BUF5 1/20 0.36
▸ TUBB2B Q9BVA1 1/20 0.36

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
SCHEMBL21572674 0.88 FFAR4 (0.42) PDE2APDE10AFFAR4AMY1AMAPK14
SCHEMBL24017168 0.77 AMY1A (0.42) PDE2APDE10AAMY1AMAPK14TUBB1
SCHEMBL26464920 0.73 CYP11B1 (0.38) PDE2APDE10AFFAR4TUBB1TUBB4A
SCHEMBL1723322 0.72 ACHE (0.52) MAPTMEN1KMT2ARAB9ACYP1A2
SCHEMBL171839 0.72 CYP1A2 (0.47) AMY1ATUBB1TUBB4ATUBBTUBA3C
SCHEMBL21480791 0.71 CYP1A2 (0.48) MEN1KMT2ARAB9ACYP1A2CYP3A4
Ammonia Solution, Strong SCHEMBL27831764 0.70 CYP1A2 (0.46) AMY1ATUBB1TUBB4ATUBBTUBA3C
SCHEMBL16290745 0.68 FFAR1 (0.44) FFAR4MAPTMEN1KMT2ARAB9A
SCHEMBL168299 0.68 RAB9A (0.46) AMY1AMAPK14RAB9ACYP1A2CYP1A1
SCHEMBL29555340 0.68 RAB9A (0.46) AMY1AMAPK14RAB9ACYP1A2CYP1A1

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-11021445-B2 Carboxylic acid derivative as AT2R receptor antagonist SHANDONG DANHONG PHARMACEUTICAL CO LTD (CN) 2021-06-01 — — US disclosed
US-20200102275-A1 CARBOXYLIC ACID DERIVATIVE AS AT2R RECEPTOR ANTAGONIST SHANDONG DANHONG PHARMACEUTICAL CO., LTD. 2020-04-02 — — 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-20200102275-A1 CARBOXYLIC ACID DERIVATIVE AS AT2R RECEPTOR ANTAGONIST AGTR2, AGTR1, HCAR2 PDE2A 1718/4885PDE10A 2559/4885FFAR4 113/4885
US-11021445-B2 Carboxylic acid derivative as AT2R receptor antagonist AGTR2, AGTR1, HCAR2 PDE2A 1718/4885PDE10A 2559/4885FFAR4 113/4885

“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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