SCHEMBL3898176

SCHEMBL3898176

CC(C)(C=CCC(=O)O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.50
ALDH1A1 P00352 2/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 2/20 0.37
CYP2C19 P33261 2/20 0.37
HIF1A Q16665 1/20 0.37
PAM P19021 1/20 0.34
ACLY P53396 1/20 0.33
HMGCR P04035 1/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33
ADRA1A P35348 1/20 0.33
GMNN O75496 1/20 0.32
USP2 O75604 1/20 0.32
CYP1A2 P05177 1/20 0.32
POLB P06746 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
APEX1 P27695 1/20 0.32
RECQL P46063 1/20 0.32

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
SCHEMBL7563224 1.00 CYP2D6 (0.50) CYP2D6ALDH1A1ALOX15TSHRCYP2C19
SCHEMBL3898173 1.00 CYP2D6 (0.50) CYP2D6ALDH1A1ALOX15TSHRCYP2C19
SCHEMBL25304685 0.80 CYP2D6 (0.55) CYP2D6ALDH1A1ALOX15TSHRCYP2C19
SCHEMBL98443 0.80 CYP2D6 (0.55) CYP2D6ALDH1A1ALOX15TSHRCYP2C19
SCHEMBL9718363 0.78 ALDH1A1 (0.35) CYP2D6ALDH1A1ALOX15TSHRCYP2C19
SCHEMBL19276329 0.78 TSHR (0.35) CYP2D6ALDH1A1TSHRCYP2C19HIF1A
SCHEMBL9718359 0.78 ALDH1A1 (0.35) CYP2D6ALDH1A1ALOX15TSHRCYP2C19
SCHEMBL31285750 0.76 TSHR (0.33) CYP2D6ALDH1A1TSHRCYP2C19HIF1A
SCHEMBL16951074 0.75 ALDH1A1 (0.41) CYP2D6ALDH1A1ALOX15TSHRCYP2C19
SCHEMBL8000395 0.75 ALDH1A1 (0.55) CYP2D6ALDH1A1ALOX15PAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4921937-A Terpolymer from olefin and carbon monoxide and preparation thereof SHELL OIL COMPANY (US) 1990-05-01 US claimed
US-4281173-A Preparation of unsaturated diesters by catalytic oxidative carbonylation of diolefins ATLANTIC RICHFIELD COMPANY (US) 1981-07-28 US claimed
US-4171450-A Preparation of unsaturated diesters by catalytic oxidative carbonylation of diolefins ATLANTIC RICHFIELD COMPANY (US) 1979-10-16 US claimed
US-4166913-A COMPOUNDS OF PLATINUM GROUP AND OF COPPER OR IRON AS CATALYSTS ATLANTIC RICHFIELD COMPANY (US) 1979-09-04 US claimed
US-20240254283-A1 BASE-CATALYZED ISOMERIZATION OF MUCONIC ACID DERIVATIVES IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2024-08-01 US disclosed
WO-2022061275-A1 BASE-CATALYZED ISOMERIZATION OF MUCONIC ACID DERIVATIVES IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2022-03-24 WO disclosed
US-7534917-B1 Method of producing dicarboxylic acids THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 2009-05-19 US disclosed
EP-0626402-B1 Linear telechelic difunctional polymers and process for their preparation. CALIFORNIA INST OF TECHN (US) 2002-07-31 EP disclosed
US-5621047-A CATALYTIC CROSS-METATHESIS REACTION OF OLEFINS WITH ALKYL (METH)ACRYLATES YIELDS PURE, UNSATURATED POLYMERS HAVING REACTIVE END GROUPS AMOCO CORPORATION (US) 1997-04-15 US disclosed
US-5512635-A OLEFIN METATHESIS PROCESS; CROSSLINKING INHIBITION AMOCO CORPORATION (US) 1996-04-30 US disclosed
EP-0626402-A2 Process for preparing linear monofunctional and telechelic difunctional polymers and compositions obtained thereby AMOCO CORPORATION (US) 1994-11-30 EP disclosed
US-4921937-A Terpolymer from olefin and carbon monoxide and preparation thereof SHELL OIL COMPANY (US) 1990-05-01 US disclosed
US-4611082-A Production of hex-3-enedioate esters from 1,4 dialkoxy butenes MONSANTO COMPANY (US) 1986-09-09 US disclosed
US-4259519-A Process for the carbonylation of diolefins POLYMER SCIENCES CORPORATION (US) 1981-03-31 US disclosed
EP-0016150-A4 Process for the carbonylation of diolefins. POLYMER SCIENCES CORP (US) 1980-10-09 EP disclosed
EP-0016150-A1 Process for the carbonylation of diolefins. POLYMER SCIENCES CORP (US) 1980-10-01 EP disclosed
WO-1980000250-A1 PROCESS FOR THE CARBONATION OF DIOLEFINS POLYMER SCIENCES CORP (US) 1980-02-21 WO disclosed
US-4189599-A Preparation of dimethyl adipate by the hydrogenation of dimethyl hex-3-endioate ATLANTIC RICHFIELD COMPANY (US) 1980-02-19 US disclosed
US-4171450-A Preparation of unsaturated diesters by catalytic oxidative carbonylation of diolefins ATLANTIC RICHFIELD COMPANY (US) 1979-10-16 US disclosed
US-4166913-A COMPOUNDS OF PLATINUM GROUP AND OF COPPER OR IRON AS CATALYSTS ATLANTIC RICHFIELD COMPANY (US) 1979-09-04 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 (1 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-20240254283-A1 BASE-CATALYZED ISOMERIZATION OF MUCONIC ACID DERIVATIVES MUC1, F12, CA13 CYP2D6 296/4885ALDH1A1 669/4885ALOX15 2786/4885

“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.