SCHEMBL29844444

SCHEMBL29844444

CCCCOc1c(F)cccc1C#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
AR P10275 3/20 0.39
CCNB2 O95067 2/20 0.38
CCNE2 O96020 2/20 0.38
CDK1 P06493 2/20 0.38
CDK4 P11802 2/20 0.38
CCNB1 P14635 2/20 0.38
CCND1 P24385 2/20 0.38
CCNE1 P24864 2/20 0.38
CDK2 P24941 2/20 0.38
CCND2 P30279 2/20 0.38
CCND3 P30281 2/20 0.38
CCNB3 Q8WWL7 2/20 0.38
ALDH1A1 P00352 5/20 0.37
HPGD P15428 3/20 0.37
L3MBTL1 Q9Y468 3/20 0.36
NPC1 O15118 1/20 0.35
CASP3 P42574 1/20 0.35
RAB9A P51151 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
SCHEMBL15923839 0.94 ALDH1A1 (0.44) TSHRALDH1A1HPGDL3MBTL1FAAH
SCHEMBL16054616 0.85 CYP11B1 (0.40) TSHRARALDH1A1L3MBTL1NPC1
SCHEMBL30513214 0.84 AR (0.40) ARALDH1A1HPGDL3MBTL1RAB9A
SCHEMBL15295256 0.82 L3MBTL1 (0.44) CCNB2CCNE2CDK1CDK4CCNB1
SCHEMBL29844299 0.81 L3MBTL1 (0.41) TSHRARALDH1A1HPGDL3MBTL1
SCHEMBL1761182 0.81 TSHR (0.39) TSHRARALDH1A1HPGDL3MBTL1
SCHEMBL29844274 0.80 AR (0.47) ARSCN8A
SCHEMBL28289636 0.79 AR (0.39) TSHRARALDH1A1L3MBTL1MEN1
SCHEMBL27936966 0.79 BCHE (0.43)
SCHEMBL11921130 0.78 SCN8A (0.39) CCNB2CCNE2CDK1CDK4CCNB1

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-12617762-B2 Carboxy derivatives with antiinflamatory properties SITRYX THERAPEUTICS LIMITED (GB) 2026-05-05 US disclosed
US-20230219907-A1 CARBOXY DERIVATIVES WITH ANTIINFLAMATORY PROPERTIES SITRYX THERAPEUTICS LIMITED (GB) 2023-07-13 US disclosed
CN-115066418-A Carboxy derivatives with anti-inflammatory properties 西特瑞治疗有限公司 2022-09-16 CN 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-20230219907-A1 CARBOXY DERIVATIVES WITH ANTIINFLAMATORY PROPERTIES CPA2, RO60, C5AR1 TSHR 3550/4885AR 3384/4885CCNB2 2136/4885
US-12617762-B2 Carboxy derivatives with antiinflamatory properties CCR1, CBR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 TSHR 3443/4885AR 3195/4885CCNB2 2902/4885

“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.