SCHEMBL433045

SCHEMBL433045

C(CCC1CO1)CC1CC1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
EPHX1 P07099 1/20 0.39
TSHR P16473 2/20 0.39
SIGMAR1 Q99720 3/20 0.36
TDP1 Q9NUW8 2/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP1A2 P05177 1/20 0.33
MAPK1 P28482 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL13398798 0.97 ALDH1A1 (0.58) ALDH1A1EPHX1TSHRSIGMAR1TDP1
SCHEMBL12376981 0.97 ALDH1A1 (0.58) ALDH1A1EPHX1TSHRSIGMAR1TDP1
SCHEMBL17145417 0.94
SCHEMBL24622845 0.90 ALDH1A1 (0.50) ALDH1A1EPHX1TSHRSIGMAR1CYP1A2
SCHEMBL23135362 0.87 ALDH1A1 (0.54) ALDH1A1EPHX1SIGMAR1CYP1A2
SCHEMBL28703085 0.87 ALDH1A1 (0.79) ALDH1A1EPHX1TDP1MEN1KMT2A
SCHEMBL7517505 0.85 ALDH1A1 (0.68) ALDH1A1EPHX1TSHRTDP1MEN1
SCHEMBL33715 0.85 ALDH1A1 (0.68) ALDH1A1EPHX1TSHRTDP1MEN1
SCHEMBL5340594 0.85 ALDH1A1 (0.68) ALDH1A1EPHX1TSHRTDP1MEN1
SCHEMBL7511568 0.85 ALDH1A1 (0.68) ALDH1A1EPHX1TSHRTDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180217498-A1 PHOTOACTIVABLE NITROGEN BASES BASF SE (DE) 2018-08-02 US disclosed
US-9921477-B2 Photoactivable nitrogen bases BASE SE (DE) 2018-03-20 US disclosed
US-8785592-B2 Preparation of poly(alkylene carbonate) containing cross-linked high molecular weight chains SK INNOVATION CO., LTD. (KR) 2014-07-22 US disclosed
US-20120065360-A1 PREPARATION OF POLY(ALKYLENE CARBONATE) CONTAINING CROSS-LINKED HIGH MOLECULAR WEIGHT CHAINS SK INNOVATION CO., LTD. (KR) 2012-03-15 US disclosed
US-20100105794-A1 PHOTOACTIVABLE NITROGEN BASES CIBA CORPORATION (US) 2010-04-29 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-20180217498-A1 PHOTOACTIVABLE NITROGEN BASES CBR1, NR0B1, NR0B2 ALDH1A1 1733/4885EPHX1 2569/4885TSHR 801/4885

“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.