SCHEMBL5115085

SCHEMBL5115085

C=Cc1ccc(CO)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.41
TP53 P04637 1/20 0.41
TRPA1 O75762 1/20 0.39
ALDH1A1 P00352 2/20 0.39
PDXK O00764 2/20 0.36
ALOX5 P09917 5/20 0.33
PTGS1 P23219 5/20 0.33
PTGS2 P35354 5/20 0.33
SHBG P04278 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
EGFR P00533 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
S1PR1 P21453 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 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
SCHEMBL12226964 0.85 TP53 (0.38) TDP1TP53TRPA1ALDH1A1ALOX5
SCHEMBL26048868 0.84 TDP1 (0.41) TDP1TP53TRPA1ALDH1A1PDXK
SCHEMBL12802253 0.82 TDP1 (0.42) TDP1TP53TRPA1ALDH1A1ALOX5
SCHEMBL11928831 0.81 ALDH1A1 (0.43) TDP1TP53TRPA1ALDH1A1PDXK
SCHEMBL10124488 0.80 TP53 (0.41) TDP1TP53TRPA1ALDH1A1ALOX5
SCHEMBL14709469 0.80 ALDH1A1 (0.43) TDP1ALDH1A1PTGS2
SCHEMBL29467225 0.80 TP53 (0.41) TDP1TP53TRPA1ALDH1A1ALOX5
SCHEMBL809833 0.80 TP53 (0.41) TDP1TP53TRPA1ALDH1A1ALOX5
SCHEMBL15524799 0.80 TP53 (0.41) TDP1TP53TRPA1ALDH1A1ALOX5
SCHEMBL16952356 0.78 TP53 (0.39) TDP1TP53TRPA1ALDH1A1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119775230-A Preparation method and application of tetrahydrofuran cyclostyrenes compound 中国石油化工股份有限公司 2025-04-08 CN disclosed
US-7449493-B2 Diamines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMACEUTICAL COMPANY (US) 2008-11-11 US disclosed
US-20050282882-A1 Diamines as modulators of chemokine receptor activity CARTER PERCY 2005-12-22 US disclosed
US-6974836-B2 Diamines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-12-13 US disclosed
US-20030060459-A1 Diamines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-03-27 US disclosed
US-4215175-A Non-woven fibers coated with a polymer of ethylenically unsaturated blocked aromatic diisocyanates THE B. F. GOODRICH COMPANY (US) 1980-07-29 US disclosed
US-4191833-A BLOCKED WITH PYRAZOLE, ADDITION POLYMERS THE B.F. GOODRICH COMPANY (US) 1980-03-04 US disclosed
US-4191834-A BLOCKED WITH BENZIMIDAZOLE, ADDITION POLYMERS THE B.F. GOODRICH COMPANY (US) 1980-03-04 US disclosed
US-4190582-A Ethylenically unsaturated blocked aromatic diisocyanates THE B. F. GOODRICH COMPANY (US) 1980-02-26 US disclosed
US-4189601-A ADHESIVES, BINDERS FOR NONWOVEN FABRICS THE B. F. GOODRICH COMPANY (US) 1980-02-19 US disclosed
US-4113958-A POLYMERS USEFUL AS ADHESIVES AND BINDERS THE B. F. GOODRICH COMPANY (US) 1978-09-12 US disclosed
US-4101491-A USEFUL AS BINDERS FOR NONWOVEN FIBERS THE B. F. GOODRICH COMPANY (US) 1978-07-18 US disclosed
US-4008247-A POLYMER INTERMEDIATE THE B. F. GOODRICH COMPANY (US) 1977-02-15 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-20050282882-A1 Diamines as modulators of chemokine receptor activity CCL11, CCR1, CCR2 TDP1 1435/4885TP53 4856/4885TRPA1 480/4885
US-20030060459-A1 Diamines as modulators of chemokine receptor activity CCL11, CCR1, CCR2 TDP1 1296/4885TP53 4864/4885TRPA1 421/4885

“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.