SCHEMBL3795613

SCHEMBL3795613

CCCCCC(CCC)COC(=O)C(CCC)CCCCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.45
CYP3A4 P08684 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
ATM Q13315 1/20 0.45
RECQL P46063 1/20 0.44
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
CA2 P00918 4/20 0.42
CA1 P00915 1/20 0.42
ALDH1A1 P00352 1/20 0.40
ZDHHC7 Q9NXF8 1/20 0.40
LMNA P02545 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39

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
SCHEMBL3797834 0.96 PRSS1 (0.48) TSHRCYP3A4TDP1ATMRECQL
SCHEMBL3800674 0.95 CA2 (0.49) TSHRCYP3A4TDP1ATMRECQL
SCHEMBL6414894 0.93 PRSS1 (0.50) TSHRCYP3A4TDP1ATMRECQL
SCHEMBL19105124 0.93 PRSS1 (0.50) TSHRCYP3A4TDP1ATMRECQL
SCHEMBL20767414 0.93 PRSS1 (0.50) TSHRCYP3A4TDP1ATMRECQL
SCHEMBL23926876 0.91 CA2 (0.52) TSHRCYP3A4TDP1ATMRECQL
SCHEMBL3754117 0.91 CA2 (0.52) TSHRCYP3A4TDP1ATMRECQL
SCHEMBL3745037 0.91 CA2 (0.52) TSHRCYP3A4TDP1ATMRECQL
SCHEMBL3747389 0.91 CA2 (0.52) TSHRCYP3A4TDP1ATMRECQL
SCHEMBL3757070 0.91 CA2 (0.52) TSHRCYP3A4TDP1ATMRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220185759-A1 PROCESSES FOR PRODUCING CARBOXYLIC ACIDS EASTMAN CHEMICAL COMPANY (US) 2022-06-16 US claimed
EP-3947337-A1 PROCESSES FOR PRODUCING CARBOXYLIC ACIDS EASTMAN CHEMICAL COMPANY (US) 2022-02-09 EP claimed
CN-113597423-A Process for producing carboxylic acid 伊士曼化工公司 2021-11-02 CN claimed
WO-2020205348-A1 PROCESSES FOR PRODUCING CARBOXYLIC ACIDS EASTMAN CHEMICAL COMPANY (US) 2020-10-08 WO claimed
EP-2142164-B1 COSMETIC COMPOSITIONS COMPRISING ESTERS BASED ON 2-PROPYLHEPTANOIC ACID COGNIS IP MAN GMBH (DE) 2012-07-04 EP claimed
US-12152005-B2 Processes for producing carboxylic acids EASTMAN CHEMICAL COMPANY (US) 2024-11-26 US disclosed
US-20220185759-A1 PROCESSES FOR PRODUCING CARBOXYLIC ACIDS EASTMAN CHEMICAL COMPANY (US) 2022-06-16 US disclosed
EP-3947337-A1 PROCESSES FOR PRODUCING CARBOXYLIC ACIDS EASTMAN CHEMICAL COMPANY (US) 2022-02-09 EP disclosed
CN-113597423-A Process for producing carboxylic acid 伊士曼化工公司 2021-11-02 CN disclosed
WO-2020205348-A1 PROCESSES FOR PRODUCING CARBOXYLIC ACIDS EASTMAN CHEMICAL COMPANY (US) 2020-10-08 WO disclosed
US-20170022144-A1 COSMETIC COMPOSITIONS COMPRISING ESTERS BASED ON 2-PROPYLHEPTANOIC ACID COGNIS IP MANAGEMENT GMBH (DE) 2017-01-26 US disclosed
US-20100209462-A1 Cosmetic compositions Comprising Esters Based on 2-Propylheptanoic Acid COGNIS IP MANAGEMENT GMBH (DE) 2010-08-19 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-20170022144-A1 COSMETIC COMPOSITIONS COMPRISING ESTERS BASED ON 2-PROPYLHEPTANOIC ACID HTR5A, FAAH2, FAAH TSHR 1163/4885CYP3A4 1224/4885TDP1 1846/4885
US-20220185759-A1 PROCESSES FOR PRODUCING CARBOXYLIC ACIDS HAO2, HPD, DDO TSHR 4552/4885CYP3A4 174/4885TDP1 2308/4885
US-20100209462-A1 Cosmetic compositions Comprising Esters Based on 2-Propylheptanoic Acid HTR5A, FAAH2, FAAH TSHR 1163/4885CYP3A4 1224/4885TDP1 1846/4885
US-12152005-B2 Processes for producing carboxylic acids HAO2, HPD, DDO TSHR 4552/4885CYP3A4 174/4885TDP1 2308/4885

“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.