SCHEMBL7904997

SCHEMBL7904997

CC(C)CCc1c2ccccc2cc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.50
HTR2A P28223 1/20 0.50
ALDH1A1 P00352 8/20 0.42
KDM4E B2RXH2 5/20 0.42
MAPT P10636 3/20 0.42
GAA P10253 2/20 0.42
LMNA P02545 2/20 0.42
KMT2A Q03164 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
ESR1 P03372 3/20 0.38
HPGD P15428 5/20 0.37
HSD17B10 Q99714 3/20 0.37
HIF1A Q16665 1/20 0.37
CYP1B1 Q16678 1/20 0.37
CYP1A2 P05177 3/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP2A6 P11509 1/20 0.36
ALOX15 P16050 1/20 0.36
HTT P42858 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
SCHEMBL9652361 0.81 KDM4E (0.42) L3MBTL1HTR2AALDH1A1KDM4EMAPT
SCHEMBL9445712 0.80 HTR2A (0.65) L3MBTL1HTR2AALDH1A1KDM4EMAPT
SCHEMBL9503751 0.79 KDM4E (0.50) ALDH1A1KDM4EMAPTGAALMNA
SCHEMBL7915794 0.79 HTR2A (0.54) L3MBTL1HTR2AALDH1A1KDM4EMAPT
SCHEMBL30906903 0.78 ALDH1A1 (0.39) L3MBTL1ALDH1A1KDM4EMAPTGAA
SCHEMBL10823801 0.77 L3MBTL1 (0.68) L3MBTL1HTR2AALDH1A1KDM4EMAPT
SCHEMBL7915225 0.77 ALDH1A1 (0.61) L3MBTL1HTR2AALDH1A1KDM4EMAPT
SCHEMBL7875750 0.76 HTR2A (0.60) L3MBTL1HTR2AALDH1A1KDM4EMAPT
SCHEMBL7877776 0.76 HTR2A (0.60) L3MBTL1HTR2AALDH1A1KDM4EMAPT
SCHEMBL10716817 0.76 HTR2A (0.46) L3MBTL1HTR2AALDH1A1KDM4EMAPT

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-11225480-B2 Malic enzyme inhibitors SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) 2022-01-18 US disclosed
EP-0872903-B1 Method for making hydrogen storage alloy powder and electrode comprising the alloy powder SHINETSU CHEMICAL CO (JP) 2001-10-04 EP disclosed
US-6277519-B1 QUENCHING AN ALLOY MELT; COMMINUTION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2001-08-21 US disclosed
US-6096144-A TREATING WITH ACIDIC OR ALKALINE SOLUTION OF CONJUGATED UNSATURATED COMPOUND WITH AT LEAST 5 BONDS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2000-08-01 US disclosed
US-5858571-A TREATING A PULVERIZED HYDROGEN ABSORBING ALLOY WITH A SOLUTION COMPRISING A CONJUGATED UNSATURATED COMPOUND SHIN-ETSU CHEMICAL CO., LTD. (JP) 1999-01-12 US disclosed
EP-0872903-A1 Method for making hydrogen storage alloy powder and electrode comprising the alloy powder Shin-Etsu Chemical Co., Ltd. (JP) 1998-10-21 EP disclosed
CN-1006386-B PROCESS FOR PRODUCTION OF VINYL CHLORIDE POLYMER SHINETSU CHEM IND CO (JP) 1990-01-10 CN disclosed
EP-0172427-B1 PROCESS FOR PRODUCTION OF VINYL CHLORIDE POLYMER Shin-Etsu Chemical Co., Ltd. (JP) 1989-07-05 EP disclosed
US-4758639-A Process for production of vinyl polymer SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-19 US disclosed
US-4757124-A Suspension or emulsion polymerizing vinyl chloride monomer or mixture of vinyl chloride with vinyl monomer copolymerizable therewith in reactor with walls coated with antiscaling compound containing dye or pigments SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-12 US disclosed
CN-85107531-A Process for producing vinyl chloride polymer 1987-01-21 CN disclosed
EP-0172427-A2 Process for production of vinyl chloride polymer Shin-Etsu Chemical Co., Ltd. (JP) 1986-02-26 EP 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-11225480-B2 Malic enzyme inhibitors ME1, RNASE1, ME2 L3MBTL1 990/4885HTR2A 4876/4885ALDH1A1 89/4885

“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.