SCHEMBL3438488

SCHEMBL3438488

O=C1CCCCC1=Cc1ccccc1F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.57
RAF1 P04049 1/20 0.57
RPS6KB1 P23443 1/20 0.57
MAPK1 P28482 1/20 0.57
AKT1 P31749 1/20 0.57
AKT2 P31751 1/20 0.57
KDR P35968 1/20 0.57
PRKAG1 P54619 1/20 0.57
MAP2K1 Q02750 1/20 0.57
PRKAA1 Q13131 1/20 0.57
MAPK14 Q16539 1/20 0.57
DYRK2 Q92630 1/20 0.57
NEK1 Q96PY6 1/20 0.57
PRKAB1 Q9Y478 1/20 0.57
ALDH1A1 P00352 3/20 0.53
HTT P42858 2/20 0.53
EGFR P00533 1/20 0.51
ACHE P22303 1/20 0.46
TNF P01375 1/20 0.45
IL6 P05231 1/20 0.45

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
SCHEMBL3438486 1.00 IKBKB (0.57) IKBKBRAF1RPS6KB1MAPK1AKT1
SCHEMBL28426523 0.98 IKBKB (0.56) IKBKBRAF1RPS6KB1MAPK1AKT1
SCHEMBL28426522 0.98 IKBKB (0.56) IKBKBRAF1RPS6KB1MAPK1AKT1
SCHEMBL28010017 0.96 IKBKB (0.60) IKBKBRAF1RPS6KB1MAPK1AKT1
SCHEMBL28426543 0.96 IKBKB (0.60) IKBKBRAF1RPS6KB1MAPK1AKT1
SCHEMBL28009929 0.81 MAPT (0.53) IKBKBRAF1RPS6KB1MAPK1AKT1
SCHEMBL3438542 0.79 ALDH1A1 (0.53) ALDH1A1HTTEGFRTNFIL6
SCHEMBL3438544 0.79 ALDH1A1 (0.53) ALDH1A1HTTEGFRTNFIL6
SCHEMBL3438081 0.79 DYRK2 (0.57) DYRK2ALDH1A1HTTEGFRACHE
SCHEMBL3438487 0.79 ALDH1A1 (0.59) ALDH1A1HTTEGFRACHETNF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9409845-B2 Alpha-(3,5-dimethoxybenzylidene)-alpha′-hydrocarbyl methylene cyclic ketone and preparation method thereof PHARMAXYN LABORATORIES LTD. (CN) 2016-08-09 US disclosed
US-20150259271-A1 alpha-(3,5-dimethoxybenzylidene)-alpha'-hydrocarbyl methylene cyclic ketone and preparation method thereof PHARMAXYN LABORATORIES LTD. (CN) 2015-09-17 US disclosed
US-7807856-B2 Process for production of 2-Benzylphenol compound IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2010-10-05 US disclosed
US-20080194882-A1 Process For Production of 2-Benzylphenol Compound IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2008-08-14 US disclosed
EP-1810957-A1 METHOD FOR PRODUCING 2-BENZYLPHENOL COMPOUND Ihara Chemical Industry Co., Ltd. (JP) 2007-07-25 EP disclosed
WO-1998022442-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING DIARYL-CYCLOMETHYLENPYRAZOLE COMPOUNDS AND THEIR USE AS CYCLOOXYGENASE I (COX 1) INHIBITORS ANGELINI RICERCHE S.P.A. SOCIETA' CONSORTILE (IT) 1998-05-28 WO 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-20080194882-A1 Process For Production of 2-Benzylphenol Compound CYP1B1, CYP4B1, CYP1A1 IKBKB 2487/4885RAF1 921/4885RPS6KB1 100/4885
US-20150259271-A1 alpha-(3,5-dimethoxybenzylidene)-alpha'-hydrocarbyl methylene cyclic ketone and preparation method thereof EGFR, KDR, BMI1 IKBKB 387/4885RAF1 410/4885RPS6KB1 1688/4885

“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.