SCHEMBL1411809

SCHEMBL1411809

C[C@H]1C[C@H](O)CC(C)(C)C1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.39
ALDH1A1 P00352 3/20 0.38
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 3/20 0.34
CYP3A4 P08684 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.33
NR1I2 O75469 1/20 0.33
ABCB11 O95342 1/20 0.33
PPP1CA P62136 1/20 0.33
FUCA1 P04066 3/20 0.32
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31

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
SCHEMBL1358179 1.00 APLNR (0.39) APLNRALDH1A1TDP1LMNACYP3A4
SCHEMBL1411810 1.00 APLNR (0.39) APLNRALDH1A1TDP1LMNACYP3A4
SCHEMBL1358694 1.00 APLNR (0.39) APLNRALDH1A1TDP1LMNACYP3A4
SCHEMBL113337 1.00 APLNR (0.39) APLNRALDH1A1TDP1LMNACYP3A4
Acetic Acid SCHEMBL11223879 0.89 APLNR (0.46) APLNRALDH1A1TDP1LMNACYP3A4
Cyclohexanol SCHEMBL14844343 0.87 TSHR (0.40) APLNRALDH1A1TDP1LMNAPPP1CA
SCHEMBL20263011 0.84 ALDH1A1 (0.31) ALDH1A1
SCHEMBL3627748 0.83 APLNR (0.39) APLNRFUCA1
Acrylic Acid SCHEMBL16240952 0.82 APLNR (0.41) APLNRALDH1A1TDP1LMNACYP3A4
Methacrylic Acid SCHEMBL16240540 0.82 APLNR (0.41) APLNRALDH1A1TDP1LMNACYP3A4

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 147 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2907898-A1 Method for the electrochemical production of 2,2,4-trimethyl adipic acid and 2,4,4-trimethyl adipic acid Evonik Degussa GmbH (DE) 2015-08-19 EP claimed
US-20150225861-A1 PROCESS FOR THE ELECTROCHEMICAL PRODUCTION OF 2,2,4-TRIMETHYLADIPIC ACID AND 2,4,4-TRIMETHYLADIPIC ACID EVONIK INDUSTRIES AG (DE) 2015-08-13 US claimed
JP-63188642-A None JP disclosed
EP-4291157-B1 FRAGRANCE DELIVERY COMPOSITIONS TAMINCO BV (BE) 2025-03-19 EP disclosed
EP-3853329-B1 FABRIC SOFTENER COMPOSITIONS TAMINCO BV (BE) 2024-06-26 EP disclosed
US-20240148630-A1 FRAGRANCE DELIVERY COMPOSITIONS TAMINCO BV (BE) 2024-05-09 US disclosed
EP-4291157-A1 FRAGRANCE DELIVERY COMPOSITIONS Taminco BV (BE) 2023-12-20 EP disclosed
EP-2646533-B2 FABRIC CONDITIONERS UNILEVER IP HOLDINGS B V (NL) 2023-07-05 EP disclosed
WO-2022171707-A1 FRAGRANCE DELIVERY COMPOSITIONS TAMINCO BV (BE) 2022-08-18 WO disclosed
US-20210317384-A1 FABRIC SOFTENER COMPOSITIONS TAMINCO BVBA (BE) 2021-10-14 US disclosed
EP-3853329-A1 FABRIC SOFTENER COMPOSITIONS TAMINCO BVBA (BE) 2021-07-28 EP disclosed
WO-2003090706-A1 FRAGRANCE RELEASE THE PROCTER & GAMBLE COMPANY (US) 2003-11-06 WO disclosed
US-20030083529-A1 Process for producing vinyl ether compounds DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2003-05-01 US disclosed
EP-1288186-A2 Vinyl ether compounds and preparation process thereof Daicel Chemical Industries, Ltd. (JP) 2003-03-05 EP disclosed
EP-0989162-A1 THERMOPLASTIC RESIN COMPOSITION, WATER-BASED COMPOSITION, HEAT-SENSITIVE PRESSURE-SENSITIVE ADHESIVE, AND HEAT-SENSITIVE SHEET Daicel Chemical Industries, Ltd. (JP) 2000-03-29 EP disclosed
EP-0594645-A1 PROCESS FOR THE PREPARATION OF PURE ISOMERIC FORMS OF 3,3,5-TRIMETHYL CYCLOHEXANOL AND 3,3,5-TRIMETHYL CYCLOHEXANONE AMINO ACID ESTERS PANMEDICA (FR) 1994-05-04 EP disclosed
WO-1992022529-A1 PROCESS FOR THE PREPARATION OF PURE ISOMERIC FORMS OF 3,3,5-TRIMETHYL CYCLOHEXANOL AND 3,3,5-TRIMETHYL CYCLOHEXANONE AMINO ACID ESTERS PANMEDICA (FR) 1992-12-23 WO disclosed
JP-S63188642-A PRODUCTION OF 3,3,5-TRIMETHYLCYCLOHEXANONE DAICEL CHEM IND LTD 1988-08-04 JP disclosed
US-4080309-A Carbonic acid ester perfumes HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DT) 1978-03-21 US disclosed
US-4033993-A Cycloalkyl carbonates HENKEL & CIE G.M.B.H. (DT) 1977-07-05 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-20030083529-A1 Process for producing vinyl ether compounds SRD5A2, RPS4X, RUVBL2 APLNR 4879/4885ALDH1A1 673/4885TDP1 3236/4885
US-20240148630-A1 FRAGRANCE DELIVERY COMPOSITIONS F12, P4HA1, INO80C APLNR 4208/4885ALDH1A1 722/4885TDP1 662/4885

“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.