SCHEMBL4035871

SCHEMBL4035871

Cc1c(C)c2c(c(C)c1O)CC1(CCN(Cc3ccccc3)CC1)O2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 10/20 0.50
OPRL1 P41146 1/20 0.44
POLB P06746 2/20 0.43
CYP3A4 P08684 2/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP2D6 P10635 2/20 0.42
MC4R P32245 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
DRD2 P14416 1/20 0.42
LMNA P02545 1/20 0.41

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
SCHEMBL10365792 0.78 CYP3A4 (0.58) CYP3A4MC4RDRD2LMNATP53
SCHEMBL10365077 0.77 ALOX5 (0.49) CYP3A4MC4RDRD2LMNATP53
SCHEMBL2911419 0.76 SIGMAR1 (0.49) SIGMAR1POLBDRD2ALDH1A1TP53
SCHEMBL2059447 0.75 TSHR (0.55) CYP3A4LMNAALDH1A1CYP1A2TSHR
SCHEMBL864155 0.72 SIGMAR1 (0.79) SIGMAR1OPRL1CYP3A4HSD17B10CYP2D6
SCHEMBL4226642 0.72 SIGMAR1 (0.61) SIGMAR1POLBCYP3A4HSD17B10MC4R
Hydrochloric Acid SCHEMBL11193368 0.71 SIGMAR1 (0.77) SIGMAR1POLBCYP3A4HSD17B10CYP2D6
SCHEMBL8597828 0.71 ALOX5 (0.43) CYP3A4LMNACYP1A2CYP2C9TSHR
SCHEMBL8931179 0.71 SIGMAR1 (0.44) SIGMAR1POLBMC4RLMNA
SCHEMBL12017854 0.70 SIGMAR1 (0.70) SIGMAR1HDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1323716-B1 PROMOTERS FOR THE PROLIFERATION AND DIFFERENTIATION OF STEM CELLS AND/OR NEURON PRECURSOR CELLS TAKEDA PHARMACEUTICAL (JP) 2009-01-14 EP disclosed
US-7008950-B1 Benzofurans as suppressors of neurodegeneration TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2006-03-07 US disclosed
US-20040034049-A1 Promoters for the proliferation and differentiation of stem cells and/or neuron precursor cells TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-02-19 US disclosed
EP-1323716-A1 PROMOTERS FOR THE PROLIFERATION AND DIFFERENTIATION OF STEM CELLS AND/OR NEURON PRECURSOR CELLS Takeda Chemical Industries, Ltd. (JP) 2003-07-02 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-20040034049-A1 Promoters for the proliferation and differentiation of stem cells and/or neuron precursor cells NES, HAT1, PROX1 SIGMAR1 2108/4885OPRL1 718/4885POLB 1865/4885

“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.