SCHEMBL18304696

SCHEMBL18304696

Cc1ccc(C(=O)O)c(C2CCCCC2)c1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.57
CAMKK2 Q96RR4 14/20 0.50
ACMSD Q8TDX5 2/20 0.47
ABCC1 P33527 1/20 0.47
CAMKK1 Q8N5S9 9/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CSNK2A1 P68400 1/20 0.44

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
SCHEMBL16421197 0.91 CSNK2A1 (0.48) PTGDR2CAMKK2ABCC1CAMKK1CSNK2A1
SCHEMBL30410929 0.91 CSNK2A1 (0.48) PTGDR2CAMKK2ABCC1CAMKK1CSNK2A1
SCHEMBL27652147 0.88 PTGDR2 (0.55) PTGDR2CAMKK2ACMSDABCC1NPC1
SCHEMBL5728643 0.85 PTGDR2 (0.51) PTGDR2CAMKK2CAMKK1NPC1RAB9A
SCHEMBL1925577 0.85 CSNK2A1 (0.46) PTGDR2CAMKK2ACMSDABCC1NPC1
SCHEMBL27832639 0.83 PTGDR2 (0.53) PTGDR2NPC1RAB9A
SCHEMBL9220646 0.83 PTGDR2 (0.50) PTGDR2NPC1RAB9A
Methyl Alcohol SCHEMBL31596316 0.82 KMO (0.51) CAMKK2ACMSDCAMKK1
SCHEMBL3443366 0.81 ACMSD (0.53) CAMKK2ACMSDCAMKK1
SCHEMBL448284 0.81 KMO (0.54) CAMKK2ACMSDCAMKK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3307395-B1 SOLUBILISING AGENTS FOR UV SCREENING COMPOUNDS ISP INVESTMENTS LLC (US) 2020-08-05 EP disclosed
CN-111362787-A Synthesis method of trans-4-alkyl cyclohexyl benzoic acid 惠泽化学科技(濮阳)有限公司 2020-07-03 CN disclosed
US-10328003-B2 Solubilizing agents for active or functional organic compounds ISP INVESTMENTS LLC (US) 2019-06-25 US disclosed
US-20180168970-A1 SOLUBILIZING AGENTS FOR ACTIVE OR FUNCTIONAL ORGANIC COMPOUNDS ISP INVESTMENTS LLC (US) 2018-06-21 US disclosed
EP-3307395-A1 SOLUBILIZING AGENTS FOR FUNCTIONAL ACTIVE COMPOUNDS ISP Investments LLC (US) 2018-04-18 EP disclosed
WO-2016201260-A1 SOLUBILIZING AGENTS FOR FUNCTIONAL ACTIVE COMPOUNDS ISP INVESTMENTS INC. (US) 2016-12-15 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-10328003-B2 Solubilizing agents for active or functional organic compounds C1S, POLR1C, TYR PTGDR2 1592/4885CAMKK2 3871/4885ACMSD 943/4885
US-20180168970-A1 SOLUBILIZING AGENTS FOR ACTIVE OR FUNCTIONAL ORGANIC COMPOUNDS C1S, POLR1C, TYR PTGDR2 1592/4885CAMKK2 3871/4885ACMSD 943/4885

“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.