SCHEMBL2120762

SCHEMBL2120762

CCCCCC1C(=O)CC[C@H]1C(C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGER2 P43116 8/20 0.44
▸ PTGER3 P43115 3/20 0.44
▸ PTGER4 P35408 3/20 0.44
▸ HTT P42858 2/20 0.39
▸ TSHR P16473 3/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ ABCC3 O15438 1/20 0.36
▸ ABCC4 O15439 1/20 0.36
▸ RARB P10826 1/20 0.36
▸ RARG P13631 1/20 0.36
▸ DRD1 P21728 1/20 0.36
▸ PTGIR P43119 1/20 0.36
▸ NR4A2 P43354 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
SCHEMBL28945563 1.00 PTGER2 (0.44) PTGER2PTGER3PTGER4HTTTSHR
SCHEMBL453839 1.00 PTGER2 (0.44) PTGER2PTGER3PTGER4HTTTSHR
SCHEMBL22125297 0.99 PTGER2 (0.46) PTGER2PTGER3PTGER4HTTTSHR
SCHEMBL22125385 0.95 HTT (0.42) PTGER2PTGER3PTGER4HTTTSHR
SCHEMBL5872360 0.87 PTGER2 (0.45) PTGER2PTGER3PTGER4HTTTSHR
SCHEMBL28670909 0.85 PTGER2 (0.44) PTGER2PTGER3PTGER4HTTTSHR
SCHEMBL22125277 0.84 PTGER2 (0.43) PTGER2PTGER3PTGER4HTTTSHR
SCHEMBL11830401 0.83 PTGER2 (0.46) PTGER2PTGER3PTGER4HTTTSHR
SCHEMBL9015808 0.83 PTGER2 (0.45) PTGER2PTGER3PTGER4HTTTSHR
SCHEMBL919090 0.82 PTGER2 (0.40) PTGER2PTGER3PTGER4HTTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11801209-B2 Cooling and flavor boosting compositions FIRMENICH SA (CH) 2023-10-31 — — US claimed
EP-3658109-B1 COOLING AND FLAVOR BOOSTING COMPOSITIONS FIRMENICH & CIE (CH) 2022-12-07 — — EP claimed
US-20200306156-A1 COOLING AND FLAVOR BOOSTING COMPOSITIONS FIRMENICH SA (CH) 2020-10-01 — — US claimed
US-11801209-B2 Cooling and flavor boosting compositions FIRMENICH SA (CH) 2023-10-31 — — US disclosed
EP-3658109-B1 COOLING AND FLAVOR BOOSTING COMPOSITIONS FIRMENICH & CIE (CH) 2022-12-07 — — EP disclosed
US-20200306156-A1 COOLING AND FLAVOR BOOSTING COMPOSITIONS FIRMENICH SA (CH) 2020-10-01 — — US disclosed
US-20120093755-A1 COMPOSITIONS AND METHODS FOR TREATING KERATIN BASED FIBERS MANEWORX INC. (US) 2012-04-19 — — US disclosed
US-20110229426-A1 PERFUMING INGREDIENTS OF THE FLORAL AND/OR ANIS TYPE FIRMENICH SA (CH) 2011-09-22 — — US disclosed
US-20110200546-A1 PERFUMING INGREDIENTS OF THE FLORAL AND/OR ANIS TYPE FIRMENICH SA (CH) 2011-08-18 — — 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 (4 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-20110200546-A1 PERFUMING INGREDIENTS OF THE FLORAL AND/OR ANIS TYPE COXFA4, CCR4, AFF4 PTGER2 908/4885PTGER3 706/4885PTGER4 27/4885
US-20110229426-A1 PERFUMING INGREDIENTS OF THE FLORAL AND/OR ANIS TYPE OPRM1, CCR4, RCOR1 PTGER2 797/4885PTGER3 762/4885PTGER4 114/4885
US-20200306156-A1 COOLING AND FLAVOR BOOSTING COMPOSITIONS TAS2R20, TAS2R10, TAS2R40 PTGER2 4103/4885PTGER3 3908/4885PTGER4 3832/4885
US-11801209-B2 Cooling and flavor boosting compositions TAS2R20, TAS2R10, TAS2R40 PTGER2 4103/4885PTGER3 3908/4885PTGER4 3832/4885

“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.

Send feedback